2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine

C13H15NO2S3 — CID 63238348

IUPAC2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine
SMILESCS(=O)(=O)c1ccc(SC(CN)c2cccs2)cc1
InChIInChI=1S/C13H15NO2S3/c1-19(15,16)11-6-4-10(5-7-11)18-13(9-14)12-3-2-8-17-12/h2-8,13H,9,14H2,1H3
InChIKeyTXOVFDIQNRTRTL-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.94
Rot. Bonds5

About 2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine

2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine (PubChem CID 63238348) has the molecular formula C13H15NO2S3 and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine
PubChem CID63238348
Molecular FormulaC13H15NO2S3
Molecular Weight313.47 g/mol
Exact Mass313.03
IUPAC Name2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine
SMILESCS(=O)(=O)c1ccc(SC(CN)c2cccs2)cc1
InChIInChI=1S/C13H15NO2S3/c1-19(15,16)11-6-4-10(5-7-11)18-13(9-14)12-3-2-8-17-12/h2-8,13H,9,14H2,1H3
InChIKeyTXOVFDIQNRTRTL-UHFFFAOYSA-N
XLogP2.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine
CID 62304285
1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398234
3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine
CID 63238314
2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol
CID 60898378
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-2-ylethanamine
CID 63538093
5-(2-amino-1-thiophen-2-ylethyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63739397
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine
CID 62409749
3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide
CID 63591345
[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine
CID 63237915
1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 63237953
N'-hydroxy-3-(4-methylsulfonylphenyl)sulfanylpentanimidamide
CID 76988584
2-(benzenesulfonyl)-2-thiophen-2-ylethanamine;hydrochloride
CID 20982711

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine?
The IUPAC name of 2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine (CID 63238348) is 2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine is CS(=O)(=O)c1ccc(SC(CN)c2cccs2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine?
The InChIKey is TXOVFDIQNRTRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S3/c1-19(15,16)11-6-4-10(5-7-11)18-13(9-14)12-3-2-8-17-12/h2-8,13H,9,14H2,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine?
2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine has a molecular weight of 313.47 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 63238348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).