(1S)-1-(4-methylsulfonylthiophen-2-yl)propan-1-amine

C8H13NO2S2 — CID 68653179

IUPAC(1S)-1-(4-methylsulfonylthiophen-2-yl)propan-1-amine
SMILESCC[C@H](N)c1cc(S(C)(=O)=O)cs1
InChIInChI=1S/C8H13NO2S2/c1-3-7(9)8-4-6(5-12-8)13(2,10)11/h4-5,7H,3,9H2,1-2H3/t7-/m0/s1
InChIKeySOAGQPYPHLKQLC-ZETCQYMHSA-N
MW219.33 g/mol
LogP1.56
Rot. Bonds3

About (1S)-1-(4-methylsulfonylthiophen-2-yl)propan-1-amine

(1S)-1-(4-methylsulfonylthiophen-2-yl)propan-1-amine (PubChem CID 68653179) has the molecular formula C8H13NO2S2 and a molecular weight of 219.33 g/mol. Its IUPAC name is (1S)-1-(4-methylsulfonylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-methylsulfonylthiophen-2-yl)propan-1-amine
PubChem CID68653179
Molecular FormulaC8H13NO2S2
Molecular Weight219.33 g/mol
Exact Mass219.04
IUPAC Name(1S)-1-(4-methylsulfonylthiophen-2-yl)propan-1-amine
SMILESCC[C@H](N)c1cc(S(C)(=O)=O)cs1
InChIInChI=1S/C8H13NO2S2/c1-3-7(9)8-4-6(5-12-8)13(2,10)11/h4-5,7H,3,9H2,1-2H3/t7-/m0/s1
InChIKeySOAGQPYPHLKQLC-ZETCQYMHSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methylsulfonylthiophen-2-yl)propan-1-amine?
The IUPAC name of (1S)-1-(4-methylsulfonylthiophen-2-yl)propan-1-amine (CID 68653179) is (1S)-1-(4-methylsulfonylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(4-methylsulfonylthiophen-2-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(4-methylsulfonylthiophen-2-yl)propan-1-amine is CC[C@H](N)c1cc(S(C)(=O)=O)cs1.
What is the InChIKey of (1S)-1-(4-methylsulfonylthiophen-2-yl)propan-1-amine?
The InChIKey is SOAGQPYPHLKQLC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NO2S2/c1-3-7(9)8-4-6(5-12-8)13(2,10)11/h4-5,7H,3,9H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(4-methylsulfonylthiophen-2-yl)propan-1-amine?
(1S)-1-(4-methylsulfonylthiophen-2-yl)propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methylsulfonylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 68653179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).