(1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine

C8H13NO2S2 — CID 130055070

IUPAC(1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1[C@@H](N)CS(C)(=O)=O
InChIInChI=1S/C8H13NO2S2/c1-6-3-4-12-8(6)7(9)5-13(2,10)11/h3-4,7H,5,9H2,1-2H3/t7-/m0/s1
InChIKeyMJIQXQZMDRHZHT-ZETCQYMHSA-N
MW219.33 g/mol
LogP1.10
Rot. Bonds3

About (1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine

(1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 130055070) has the molecular formula C8H13NO2S2 and a molecular weight of 219.33 g/mol. Its IUPAC name is (1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID130055070
Molecular FormulaC8H13NO2S2
Molecular Weight219.33 g/mol
Exact Mass219.04
IUPAC Name(1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1[C@@H](N)CS(C)(=O)=O
InChIInChI=1S/C8H13NO2S2/c1-6-3-4-12-8(6)7(9)5-13(2,10)11/h3-4,7H,5,9H2,1-2H3/t7-/m0/s1
InChIKeyMJIQXQZMDRHZHT-ZETCQYMHSA-N
XLogP1.10
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055235
1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine
CID 80534875
2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102840919
3-amino-3-(3-methylthiophen-2-yl)propanamide
CID 43147956
1-(3-methylthiophen-2-yl)hexan-1-amine;hydrochloride
CID 86262849
(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
CID 171222736
(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 171313604
N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 116932549
(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 103693064
(1R)-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 55276293
2,4-diamino-4-(3-methylthiophen-2-yl)butanoic acid
CID 116942752
(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222723

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of (1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine (CID 130055070) is (1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for (1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for (1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine is Cc1ccsc1[C@@H](N)CS(C)(=O)=O.
What is the InChIKey of (1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is MJIQXQZMDRHZHT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NO2S2/c1-6-3-4-12-8(6)7(9)5-13(2,10)11/h3-4,7H,5,9H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine?
(1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 130055070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).