5-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)thiophen-2-amine

C13H13N3O2S2 — CID 82008114

IUPAC5-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)thiophen-2-amine
SMILESCn1c(-c2ccc(N)s2)nc2c(S(C)(=O)=O)cccc21
InChIInChI=1S/C13H13N3O2S2/c1-16-8-4-3-5-10(20(2,17)18)12(8)15-13(16)9-6-7-11(14)19-9/h3-7H,14H2,1-2H3
InChIKeyUIVCCEKPFWTGGW-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.29
Rot. Bonds2

About 5-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)thiophen-2-amine

5-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)thiophen-2-amine (PubChem CID 82008114) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)thiophen-2-amine.

Molecular Properties

Compound Name5-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)thiophen-2-amine
PubChem CID82008114
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC Name5-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)thiophen-2-amine
SMILESCn1c(-c2ccc(N)s2)nc2c(S(C)(=O)=O)cccc21
InChIInChI=1S/C13H13N3O2S2/c1-16-8-4-3-5-10(20(2,17)18)12(8)15-13(16)9-6-7-11(14)19-9/h3-7H,14H2,1-2H3
InChIKeyUIVCCEKPFWTGGW-UHFFFAOYSA-N
XLogP2.29
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)thiophen-2-amine?
The IUPAC name of 5-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)thiophen-2-amine (CID 82008114) is 5-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)thiophen-2-amine.
What is the SMILES notation for 5-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)thiophen-2-amine?
The canonical SMILES for 5-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)thiophen-2-amine is Cn1c(-c2ccc(N)s2)nc2c(S(C)(=O)=O)cccc21.
What is the InChIKey of 5-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)thiophen-2-amine?
The InChIKey is UIVCCEKPFWTGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c1-16-8-4-3-5-10(20(2,17)18)12(8)15-13(16)9-6-7-11(14)19-9/h3-7H,14H2,1-2H3.
What are the key properties of 5-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)thiophen-2-amine?
5-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)thiophen-2-amine has a molecular weight of 307.40 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-4-methylsulfonylbenzimidazol-2-yl)thiophen-2-amine is sourced from PubChem (CID 82008114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).