(4-methylsulfonyl-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine

C13H13N3O2S2 — CID 82008010

IUPAC(4-methylsulfonyl-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine
SMILESCS(=O)(=O)c1cccc2[nH]c(C(N)c3cccs3)nc12
InChIInChI=1S/C13H13N3O2S2/c1-20(17,18)10-6-2-4-8-12(10)16-13(15-8)11(14)9-5-3-7-19-9/h2-7,11H,14H2,1H3,(H,15,16)
InChIKeyJAZCAHSTPGDTLT-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.08
Rot. Bonds3

About (4-methylsulfonyl-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine

(4-methylsulfonyl-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine (PubChem CID 82008010) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (4-methylsulfonyl-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(4-methylsulfonyl-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine
PubChem CID82008010
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC Name(4-methylsulfonyl-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine
SMILESCS(=O)(=O)c1cccc2[nH]c(C(N)c3cccs3)nc12
InChIInChI=1S/C13H13N3O2S2/c1-20(17,18)10-6-2-4-8-12(10)16-13(15-8)11(14)9-5-3-7-19-9/h2-7,11H,14H2,1H3,(H,15,16)
InChIKeyJAZCAHSTPGDTLT-UHFFFAOYSA-N
XLogP2.08
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonyl-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine?
The IUPAC name of (4-methylsulfonyl-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine (CID 82008010) is (4-methylsulfonyl-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (4-methylsulfonyl-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine?
The canonical SMILES for (4-methylsulfonyl-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine is CS(=O)(=O)c1cccc2[nH]c(C(N)c3cccs3)nc12.
What is the InChIKey of (4-methylsulfonyl-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine?
The InChIKey is JAZCAHSTPGDTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c1-20(17,18)10-6-2-4-8-12(10)16-13(15-8)11(14)9-5-3-7-19-9/h2-7,11H,14H2,1H3,(H,15,16).
What are the key properties of (4-methylsulfonyl-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine?
(4-methylsulfonyl-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine has a molecular weight of 307.40 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonyl-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 82008010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).