(8aS)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide

C13H25N3O2S — CID 129461274

IUPAC(8aS)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
SMILESC[C@@H](C1CC1)N(C)S(=O)(=O)N1CCN2CCC[C@H]2C1
InChIInChI=1S/C13H25N3O2S/c1-11(12-5-6-12)14(2)19(17,18)16-9-8-15-7-3-4-13(15)10-16/h11-13H,3-10H2,1-2H3/t11-,13-/m0/s1
InChIKeyKHNVWIXDRZWXDQ-AAEUAGOBSA-N
MW287.43 g/mol
LogP0.74
Rot. Bonds4

About (8aS)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide

(8aS)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide (PubChem CID 129461274) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is (8aS)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide.

Molecular Properties

Compound Name(8aS)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
PubChem CID129461274
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name(8aS)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
SMILESC[C@@H](C1CC1)N(C)S(=O)(=O)N1CCN2CCC[C@H]2C1
InChIInChI=1S/C13H25N3O2S/c1-11(12-5-6-12)14(2)19(17,18)16-9-8-15-7-3-4-13(15)10-16/h11-13H,3-10H2,1-2H3/t11-,13-/m0/s1
InChIKeyKHNVWIXDRZWXDQ-AAEUAGOBSA-N
XLogP0.74
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (8aS)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide with MolForge

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Related Compounds

N-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 79936068
N-(3-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide
CID 79932436
N-(3-hydroxypropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide
CID 79924715
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propanoic acid
CID 54947759
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonyl chloride
CID 115649520
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propan-1-amine
CID 79938331
3-hydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 62917299
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine
CID 79938659
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 23856941
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine
CID 79925459
N-[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 95635483
N-[1-cyclopropylethyl(methyl)sulfamoyl]-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 56806853

Frequently Asked Questions

What is the IUPAC name of (8aS)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide?
The IUPAC name of (8aS)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide (CID 129461274) is (8aS)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide.
What is the SMILES notation for (8aS)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide?
The canonical SMILES for (8aS)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide is C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCN2CCC[C@H]2C1.
What is the InChIKey of (8aS)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide?
The InChIKey is KHNVWIXDRZWXDQ-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-11(12-5-6-12)14(2)19(17,18)16-9-8-15-7-3-4-13(15)10-16/h11-13H,3-10H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of (8aS)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide?
(8aS)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide has a molecular weight of 287.43 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide is sourced from PubChem (CID 129461274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).