N-[5-[[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide

C14H23N5O3S2 — CID 56749272

IUPACN-[5-[[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)N[C@H]2C[C@H]3CN(C)CCN3C2)s1
InChIInChI=1S/C14H23N5O3S2/c1-9-13(23-14(15-9)16-10(2)20)24(21,22)17-11-6-12-8-18(3)4-5-19(12)7-11/h11-12,17H,4-8H2,1-3H3,(H,15,16,20)/t11-,12-/m0/s1
InChIKeyKRLJIGCATJLHKF-RYUDHWBXSA-N
MW373.50 g/mol
LogP0.08
Rot. Bonds4

About N-[5-[[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 56749272) has the molecular formula C14H23N5O3S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[5-[[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID56749272
Molecular FormulaC14H23N5O3S2
Molecular Weight373.50 g/mol
Exact Mass373.12
IUPAC NameN-[5-[[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)N[C@H]2C[C@H]3CN(C)CCN3C2)s1
InChIInChI=1S/C14H23N5O3S2/c1-9-13(23-14(15-9)16-10(2)20)24(21,22)17-11-6-12-8-18(3)4-5-19(12)7-11/h11-12,17H,4-8H2,1-3H3,(H,15,16,20)/t11-,12-/m0/s1
InChIKeyKRLJIGCATJLHKF-RYUDHWBXSA-N
XLogP0.08
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 56749272) is N-[5-[[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(S(=O)(=O)N[C@H]2C[C@H]3CN(C)CCN3C2)s1.
What is the InChIKey of N-[5-[[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is KRLJIGCATJLHKF-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H23N5O3S2/c1-9-13(23-14(15-9)16-10(2)20)24(21,22)17-11-6-12-8-18(3)4-5-19(12)7-11/h11-12,17H,4-8H2,1-3H3,(H,15,16,20)/t11-,12-/m0/s1.
What are the key properties of N-[5-[[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 56749272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).