[4-(4-methylsulfonylphenyl)thiophen-2-yl]methanamine

C12H13NO2S2 — CID 174311538

IUPAC[4-(4-methylsulfonylphenyl)thiophen-2-yl]methanamine
SMILESCS(=O)(=O)c1ccc(-c2csc(CN)c2)cc1
InChIInChI=1S/C12H13NO2S2/c1-17(14,15)12-4-2-9(3-5-12)10-6-11(7-13)16-8-10/h2-6,8H,7,13H2,1H3
InChIKeyDZJBXPCZBFCODE-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.28
Rot. Bonds3

About [4-(4-methylsulfonylphenyl)thiophen-2-yl]methanamine

[4-(4-methylsulfonylphenyl)thiophen-2-yl]methanamine (PubChem CID 174311538) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is [4-(4-methylsulfonylphenyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-methylsulfonylphenyl)thiophen-2-yl]methanamine
PubChem CID174311538
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC Name[4-(4-methylsulfonylphenyl)thiophen-2-yl]methanamine
SMILESCS(=O)(=O)c1ccc(-c2csc(CN)c2)cc1
InChIInChI=1S/C12H13NO2S2/c1-17(14,15)12-4-2-9(3-5-12)10-6-11(7-13)16-8-10/h2-6,8H,7,13H2,1H3
InChIKeyDZJBXPCZBFCODE-UHFFFAOYSA-N
XLogP2.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylsulfonylphenyl)thiophen-2-yl]methanamine?
The IUPAC name of [4-(4-methylsulfonylphenyl)thiophen-2-yl]methanamine (CID 174311538) is [4-(4-methylsulfonylphenyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [4-(4-methylsulfonylphenyl)thiophen-2-yl]methanamine?
The canonical SMILES for [4-(4-methylsulfonylphenyl)thiophen-2-yl]methanamine is CS(=O)(=O)c1ccc(-c2csc(CN)c2)cc1.
What is the InChIKey of [4-(4-methylsulfonylphenyl)thiophen-2-yl]methanamine?
The InChIKey is DZJBXPCZBFCODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-17(14,15)12-4-2-9(3-5-12)10-6-11(7-13)16-8-10/h2-6,8H,7,13H2,1H3.
What are the key properties of [4-(4-methylsulfonylphenyl)thiophen-2-yl]methanamine?
[4-(4-methylsulfonylphenyl)thiophen-2-yl]methanamine has a molecular weight of 267.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylsulfonylphenyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 174311538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).