[5-(3-methylsulfonylphenyl)thiophen-2-yl]methanamine

C12H13NO2S2 — CID 159006983

IUPAC[5-(3-methylsulfonylphenyl)thiophen-2-yl]methanamine
SMILESCS(=O)(=O)c1cccc(-c2ccc(CN)s2)c1
InChIInChI=1S/C12H13NO2S2/c1-17(14,15)11-4-2-3-9(7-11)12-6-5-10(8-13)16-12/h2-7H,8,13H2,1H3
InChIKeyWSNUBPNCFWNTDN-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.28
Rot. Bonds3

About [5-(3-methylsulfonylphenyl)thiophen-2-yl]methanamine

[5-(3-methylsulfonylphenyl)thiophen-2-yl]methanamine (PubChem CID 159006983) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is [5-(3-methylsulfonylphenyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methylsulfonylphenyl)thiophen-2-yl]methanamine
PubChem CID159006983
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC Name[5-(3-methylsulfonylphenyl)thiophen-2-yl]methanamine
SMILESCS(=O)(=O)c1cccc(-c2ccc(CN)s2)c1
InChIInChI=1S/C12H13NO2S2/c1-17(14,15)11-4-2-3-9(7-11)12-6-5-10(8-13)16-12/h2-7H,8,13H2,1H3
InChIKeyWSNUBPNCFWNTDN-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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Related Compounds

(5-phenylthiophen-2-yl)methanamine
CID 11993875
5-(3-methylsulfonylphenyl)thiophene-2-carboxylic acid
CID 53486055
2-(3-methylsulfonylphenyl)thiophene
CID 141164326
5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-2H-triazole-4-carbonitrile
CID 122479723
4-bromo-2-(3-methylsulfonylphenyl)thiophene
CID 68877839
N-(2-methylpropyl)-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 25234245
N-(2-chlorophenyl)sulfonyl-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]benzamide
CID 25235119
1,1,1-trifluoro-4-hydroxy-4-[5-(3-methylsulfonylphenyl)thiophen-2-yl]but-3-en-2-one
CID 68655693
(Z)-1,1,1-trifluoro-4-hydroxy-4-[5-(3-methylsulfonylphenyl)thiophen-2-yl]but-3-en-2-one
CID 59632486
2-methyl-1-(3-methylsulfonylphenyl)propan-2-amine
CID 82618444
[4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 166611510
[5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine
CID 130344906

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylsulfonylphenyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-(3-methylsulfonylphenyl)thiophen-2-yl]methanamine (CID 159006983) is [5-(3-methylsulfonylphenyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-(3-methylsulfonylphenyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-(3-methylsulfonylphenyl)thiophen-2-yl]methanamine is CS(=O)(=O)c1cccc(-c2ccc(CN)s2)c1.
What is the InChIKey of [5-(3-methylsulfonylphenyl)thiophen-2-yl]methanamine?
The InChIKey is WSNUBPNCFWNTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-17(14,15)11-4-2-3-9(7-11)12-6-5-10(8-13)16-12/h2-7H,8,13H2,1H3.
What are the key properties of [5-(3-methylsulfonylphenyl)thiophen-2-yl]methanamine?
[5-(3-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 [5-(3-methylsulfonylphenyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 159006983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).