N-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine

C16H27N3O2S — CID 125137183

IUPACN-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine
SMILESCC(C)NS(=O)(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H27N3O2S/c1-13(2)17-22(20,21)18-14(3)16-9-10-19(12-16)11-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3/t14-,16+/m0/s1
InChIKeyIGDVMMHNPHRXCS-GOEBONIOSA-N
MW325.48 g/mol
LogP1.73
Rot. Bonds7

About N-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine

N-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine (PubChem CID 125137183) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is N-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine.

Molecular Properties

Compound NameN-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine
PubChem CID125137183
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC NameN-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine
SMILESCC(C)NS(=O)(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H27N3O2S/c1-13(2)17-22(20,21)18-14(3)16-9-10-19(12-16)11-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3/t14-,16+/m0/s1
InChIKeyIGDVMMHNPHRXCS-GOEBONIOSA-N
XLogP1.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide
CID 124739763
N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide
CID 124739764
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1,3-dithiolane-2-carboxamide
CID 125137166
1-(1-benzylpyrrolidin-3-yl)ethylthiourea
CID 131219663
N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine
CID 97341089
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
N-[1-(1-benzylpiperidin-3-yl)ethyl]acetamide
CID 21041194
1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine
CID 82390240
N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide
CID 154801347
(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine
CID 10443395
1-(1-benzylpiperidin-4-yl)-N-ethylethanamine
CID 63854656

Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine?
The IUPAC name of N-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine (CID 125137183) is N-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine.
What is the SMILES notation for N-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine?
The canonical SMILES for N-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine is CC(C)NS(=O)(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine?
The InChIKey is IGDVMMHNPHRXCS-GOEBONIOSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-13(2)17-22(20,21)18-14(3)16-9-10-19(12-16)11-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3/t14-,16+/m0/s1.
What are the key properties of N-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine?
N-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine has a molecular weight of 325.48 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine is sourced from PubChem (CID 125137183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).