N-(2-amino-3H-benzimidazol-5-yl)propane-2-sulfonamide

C10H14N4O2S — CID 3010977

IUPACN-(2-amino-3H-benzimidazol-5-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc2nc(N)[nH]c2c1
InChIInChI=1S/C10H14N4O2S/c1-6(2)17(15,16)14-7-3-4-8-9(5-7)13-10(11)12-8/h3-6,14H,1-2H3,(H3,11,12,13)
InChIKeyAOGPRHYIWZBGDD-UHFFFAOYSA-N
MW254.32 g/mol
LogP1.30
Rot. Bonds3

About N-(2-amino-3H-benzimidazol-5-yl)propane-2-sulfonamide

N-(2-amino-3H-benzimidazol-5-yl)propane-2-sulfonamide (PubChem CID 3010977) has the molecular formula C10H14N4O2S and a molecular weight of 254.32 g/mol. Its IUPAC name is N-(2-amino-3H-benzimidazol-5-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-3H-benzimidazol-5-yl)propane-2-sulfonamide
PubChem CID3010977
Molecular FormulaC10H14N4O2S
Molecular Weight254.32 g/mol
Exact Mass254.08
IUPAC NameN-(2-amino-3H-benzimidazol-5-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc2nc(N)[nH]c2c1
InChIInChI=1S/C10H14N4O2S/c1-6(2)17(15,16)14-7-3-4-8-9(5-7)13-10(11)12-8/h3-6,14H,1-2H3,(H3,11,12,13)
InChIKeyAOGPRHYIWZBGDD-UHFFFAOYSA-N
XLogP1.30
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3H-benzimidazol-5-yl)propane-2-sulfonamide?
The IUPAC name of N-(2-amino-3H-benzimidazol-5-yl)propane-2-sulfonamide (CID 3010977) is N-(2-amino-3H-benzimidazol-5-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-amino-3H-benzimidazol-5-yl)propane-2-sulfonamide?
The canonical SMILES for N-(2-amino-3H-benzimidazol-5-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc2nc(N)[nH]c2c1.
What is the InChIKey of N-(2-amino-3H-benzimidazol-5-yl)propane-2-sulfonamide?
The InChIKey is AOGPRHYIWZBGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-6(2)17(15,16)14-7-3-4-8-9(5-7)13-10(11)12-8/h3-6,14H,1-2H3,(H3,11,12,13).
What are the key properties of N-(2-amino-3H-benzimidazol-5-yl)propane-2-sulfonamide?
N-(2-amino-3H-benzimidazol-5-yl)propane-2-sulfonamide has a molecular weight of 254.32 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3H-benzimidazol-5-yl)propane-2-sulfonamide is sourced from PubChem (CID 3010977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).