N-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide

C15H26N4O2S — CID 129339520

IUPACN-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN1CCC[C@@H]1c1nc2c([nH]1)CCCC2
InChIInChI=1S/C15H26N4O2S/c1-16-22(20,21)11-5-10-19-9-4-8-14(19)15-17-12-6-2-3-7-13(12)18-15/h14,16H,2-11H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyOTGKJHDXMAJDFZ-CQSZACIVSA-N
MW326.47 g/mol
LogP1.36
Rot. Bonds6

About N-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide

N-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide (PubChem CID 129339520) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is N-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide
PubChem CID129339520
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC NameN-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN1CCC[C@@H]1c1nc2c([nH]1)CCCC2
InChIInChI=1S/C15H26N4O2S/c1-16-22(20,21)11-5-10-19-9-4-8-14(19)15-17-12-6-2-3-7-13(12)18-15/h14,16H,2-11H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyOTGKJHDXMAJDFZ-CQSZACIVSA-N
XLogP1.36
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide?
The IUPAC name of N-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide (CID 129339520) is N-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide.
What is the SMILES notation for N-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide?
The canonical SMILES for N-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide is CNS(=O)(=O)CCCN1CCC[C@@H]1c1nc2c([nH]1)CCCC2.
What is the InChIKey of N-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide?
The InChIKey is OTGKJHDXMAJDFZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-16-22(20,21)11-5-10-19-9-4-8-14(19)15-17-12-6-2-3-7-13(12)18-15/h14,16H,2-11H2,1H3,(H,17,18)/t14-/m1/s1.
What are the key properties of N-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide?
N-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide has a molecular weight of 326.47 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 129339520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).