2-(1-methylbenzimidazol-5-yl)sulfonylethanamine

C10H13N3O2S — CID 116853429

IUPAC2-(1-methylbenzimidazol-5-yl)sulfonylethanamine
SMILESCn1cnc2cc(S(=O)(=O)CCN)ccc21
InChIInChI=1S/C10H13N3O2S/c1-13-7-12-9-6-8(2-3-10(9)13)16(14,15)5-4-11/h2-3,6-7H,4-5,11H2,1H3
InChIKeyUYLHRHBIEWPOLM-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.31
Rot. Bonds3

About 2-(1-methylbenzimidazol-5-yl)sulfonylethanamine

2-(1-methylbenzimidazol-5-yl)sulfonylethanamine (PubChem CID 116853429) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-5-yl)sulfonylethanamine.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-5-yl)sulfonylethanamine
PubChem CID116853429
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-(1-methylbenzimidazol-5-yl)sulfonylethanamine
SMILESCn1cnc2cc(S(=O)(=O)CCN)ccc21
InChIInChI=1S/C10H13N3O2S/c1-13-7-12-9-6-8(2-3-10(9)13)16(14,15)5-4-11/h2-3,6-7H,4-5,11H2,1H3
InChIKeyUYLHRHBIEWPOLM-UHFFFAOYSA-N
XLogP0.31
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-5-yl)sulfonylethanamine?
The IUPAC name of 2-(1-methylbenzimidazol-5-yl)sulfonylethanamine (CID 116853429) is 2-(1-methylbenzimidazol-5-yl)sulfonylethanamine.
What is the SMILES notation for 2-(1-methylbenzimidazol-5-yl)sulfonylethanamine?
The canonical SMILES for 2-(1-methylbenzimidazol-5-yl)sulfonylethanamine is Cn1cnc2cc(S(=O)(=O)CCN)ccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-5-yl)sulfonylethanamine?
The InChIKey is UYLHRHBIEWPOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-13-7-12-9-6-8(2-3-10(9)13)16(14,15)5-4-11/h2-3,6-7H,4-5,11H2,1H3.
What are the key properties of 2-(1-methylbenzimidazol-5-yl)sulfonylethanamine?
2-(1-methylbenzimidazol-5-yl)sulfonylethanamine has a molecular weight of 239.30 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-5-yl)sulfonylethanamine is sourced from PubChem (CID 116853429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).