2-(3H-benzimidazol-5-ylsulfonyl)-2-methylpropan-1-amine

C11H15N3O2S — CID 116855215

IUPAC2-(3H-benzimidazol-5-ylsulfonyl)-2-methylpropan-1-amine
SMILESCC(C)(CN)S(=O)(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C11H15N3O2S/c1-11(2,6-12)17(15,16)8-3-4-9-10(5-8)14-7-13-9/h3-5,7H,6,12H2,1-2H3,(H,13,14)
InChIKeyHHEPTMXFRYUFEN-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.07
Rot. Bonds3

About 2-(3H-benzimidazol-5-ylsulfonyl)-2-methylpropan-1-amine

2-(3H-benzimidazol-5-ylsulfonyl)-2-methylpropan-1-amine (PubChem CID 116855215) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-ylsulfonyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-ylsulfonyl)-2-methylpropan-1-amine
PubChem CID116855215
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-(3H-benzimidazol-5-ylsulfonyl)-2-methylpropan-1-amine
SMILESCC(C)(CN)S(=O)(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C11H15N3O2S/c1-11(2,6-12)17(15,16)8-3-4-9-10(5-8)14-7-13-9/h3-5,7H,6,12H2,1-2H3,(H,13,14)
InChIKeyHHEPTMXFRYUFEN-UHFFFAOYSA-N
XLogP1.07
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

amino 3H-benzimidazole-5-sulfonate
CID 57129072
N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 68763718
potassium;3H-benzimidazole-5-sulfonic acid;hydride
CID 173083213
2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
CID 115132184
3H-benzimidazol-5-yl-dimethyl-sulfanyl-λ4-sulfane
CID 91169842
2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride
CID 116866400
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide
CID 115157341
6-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 39830614
2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]propan-1-amine
CID 116855218
6-(2,2-dimethylpropyl)-1H-benzimidazole
CID 58236536
N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide
CID 110724410
N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide
CID 110760013

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-ylsulfonyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(3H-benzimidazol-5-ylsulfonyl)-2-methylpropan-1-amine (CID 116855215) is 2-(3H-benzimidazol-5-ylsulfonyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3H-benzimidazol-5-ylsulfonyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3H-benzimidazol-5-ylsulfonyl)-2-methylpropan-1-amine is CC(C)(CN)S(=O)(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of 2-(3H-benzimidazol-5-ylsulfonyl)-2-methylpropan-1-amine?
The InChIKey is HHEPTMXFRYUFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-11(2,6-12)17(15,16)8-3-4-9-10(5-8)14-7-13-9/h3-5,7H,6,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(3H-benzimidazol-5-ylsulfonyl)-2-methylpropan-1-amine?
2-(3H-benzimidazol-5-ylsulfonyl)-2-methylpropan-1-amine has a molecular weight of 253.33 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-ylsulfonyl)-2-methylpropan-1-amine is sourced from PubChem (CID 116855215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).