N-[[(3S,7S,8aS)-7-(methanesulfonamido)-4-oxo-2-propan-2-yl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide

C16H28N4O4S — CID 171155731

IUPACN-[[(3S,7S,8aS)-7-(methanesulfonamido)-4-oxo-2-propan-2-yl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
SMILESCC(C)N1C[C@@H]2C[C@H](NS(C)(=O)=O)CN2C(=O)[C@@H]1CNC(=O)C1CC1
InChIInChI=1S/C16H28N4O4S/c1-10(2)19-9-13-6-12(18-25(3,23)24)8-20(13)16(22)14(19)7-17-15(21)11-4-5-11/h10-14,18H,4-9H2,1-3H3,(H,17,21)/t12-,13-,14-/m0/s1
InChIKeyKWQLKDXJKUEUMW-IHRRRGAJSA-N
MW372.49 g/mol
LogP-0.88
Rot. Bonds6

About N-[[(3S,7S,8aS)-7-(methanesulfonamido)-4-oxo-2-propan-2-yl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide

N-[[(3S,7S,8aS)-7-(methanesulfonamido)-4-oxo-2-propan-2-yl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide (PubChem CID 171155731) has the molecular formula C16H28N4O4S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[[(3S,7S,8aS)-7-(methanesulfonamido)-4-oxo-2-propan-2-yl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(3S,7S,8aS)-7-(methanesulfonamido)-4-oxo-2-propan-2-yl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
PubChem CID171155731
Molecular FormulaC16H28N4O4S
Molecular Weight372.49 g/mol
Exact Mass372.18
IUPAC NameN-[[(3S,7S,8aS)-7-(methanesulfonamido)-4-oxo-2-propan-2-yl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
SMILESCC(C)N1C[C@@H]2C[C@H](NS(C)(=O)=O)CN2C(=O)[C@@H]1CNC(=O)C1CC1
InChIInChI=1S/C16H28N4O4S/c1-10(2)19-9-13-6-12(18-25(3,23)24)8-20(13)16(22)14(19)7-17-15(21)11-4-5-11/h10-14,18H,4-9H2,1-3H3,(H,17,21)/t12-,13-,14-/m0/s1
InChIKeyKWQLKDXJKUEUMW-IHRRRGAJSA-N
XLogP-0.88
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(3S,7S,8aS)-7-(methanesulfonamido)-4-oxo-2-propan-2-yl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[[(3S,7S,8aS)-7-(methanesulfonamido)-4-oxo-2-propyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 171155757
N-[[(3S,7S,8aS)-7-(methanesulfonamido)-2-[(2-methylpyrimidin-5-yl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 171155728
N-[[(3S,7S,8aS)-2-(1H-imidazol-2-ylmethyl)-7-(methanesulfonamido)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 171155762
N-[[(3S,7S,8aS)-2-(cyclopropylmethyl)-4-oxo-7-(propan-2-ylcarbamoylamino)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 171155602
N-[[(3S,7S,8aS)-2-(cyclohexylmethyl)-4-oxo-7-(propan-2-ylcarbamoylamino)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 171155601
N-[[(3S,7S,8aS)-7-(methanesulfonamido)-4-oxo-2-(pyridin-2-ylmethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-methylpropanamide
CID 171155685
N-[[(3S,7S,8aS)-2-[(4-fluorophenyl)methyl]-7-(methanesulfonamido)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide
CID 171155707
N-[[(3S,7S,8aS)-2-[(4-fluorophenyl)methyl]-4-oxo-7-(propan-2-ylcarbamoylamino)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 171155588
N-[[(3S,7S,8aS)-4-oxo-7-(propan-2-ylcarbamoylamino)-2-(pyridin-4-ylmethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 171155574
N-[[(3S,7S,8aS)-2-[(3-chlorophenyl)methyl]-7-(methanesulfonamido)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide
CID 171155700
N-[[(3S,7S,8aS)-2-[(3-methylimidazol-4-yl)methyl]-4-oxo-7-(propan-2-ylcarbamoylamino)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 171155592
N-[[(3S,7S,8aS)-2-[(3-fluorophenyl)methyl]-4-oxo-7-(propan-2-ylcarbamoylamino)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 171155589

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,7S,8aS)-7-(methanesulfonamido)-4-oxo-2-propan-2-yl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(3S,7S,8aS)-7-(methanesulfonamido)-4-oxo-2-propan-2-yl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide (CID 171155731) is N-[[(3S,7S,8aS)-7-(methanesulfonamido)-4-oxo-2-propan-2-yl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(3S,7S,8aS)-7-(methanesulfonamido)-4-oxo-2-propan-2-yl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(3S,7S,8aS)-7-(methanesulfonamido)-4-oxo-2-propan-2-yl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide is CC(C)N1C[C@@H]2C[C@H](NS(C)(=O)=O)CN2C(=O)[C@@H]1CNC(=O)C1CC1.
What is the InChIKey of N-[[(3S,7S,8aS)-7-(methanesulfonamido)-4-oxo-2-propan-2-yl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide?
The InChIKey is KWQLKDXJKUEUMW-IHRRRGAJSA-N. The full InChI is InChI=1S/C16H28N4O4S/c1-10(2)19-9-13-6-12(18-25(3,23)24)8-20(13)16(22)14(19)7-17-15(21)11-4-5-11/h10-14,18H,4-9H2,1-3H3,(H,17,21)/t12-,13-,14-/m0/s1.
What are the key properties of N-[[(3S,7S,8aS)-7-(methanesulfonamido)-4-oxo-2-propan-2-yl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide?
N-[[(3S,7S,8aS)-7-(methanesulfonamido)-4-oxo-2-propan-2-yl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide has a molecular weight of 372.49 g/mol, XLogP of -0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,7S,8aS)-7-(methanesulfonamido)-4-oxo-2-propan-2-yl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 171155731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).