2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine

C9H15NO2S2 — CID 81187038

IUPAC2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine
SMILESCC(CN)S(=O)(=O)CCc1cccs1
InChIInChI=1S/C9H15NO2S2/c1-8(7-10)14(11,12)6-4-9-3-2-5-13-9/h2-3,5,8H,4,6-7,10H2,1H3
InChIKeyQCZJKZSLNOHNPV-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.05
Rot. Bonds5

About 2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine

2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine (PubChem CID 81187038) has the molecular formula C9H15NO2S2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine
PubChem CID81187038
Molecular FormulaC9H15NO2S2
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC Name2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine
SMILESCC(CN)S(=O)(=O)CCc1cccs1
InChIInChI=1S/C9H15NO2S2/c1-8(7-10)14(11,12)6-4-9-3-2-5-13-9/h2-3,5,8H,4,6-7,10H2,1H3
InChIKeyQCZJKZSLNOHNPV-UHFFFAOYSA-N
XLogP1.05
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine
CID 115618327
N-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide
CID 100627668
N-(1-amino-2-methylpropan-2-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
CID 120874886
4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one
CID 116551988
N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-2-thiophen-2-ylethanamine
CID 107757361
2-thiophen-2-ylethyl 3-amino-2-methylpropanoate
CID 62669004
N-(2-aminoethyl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
CID 120874392
4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol
CID 107443143
2-(3-methylbutylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 107757818
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79019425
4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
CID 43763574

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine?
The IUPAC name of 2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine (CID 81187038) is 2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine.
What is the SMILES notation for 2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine?
The canonical SMILES for 2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine is CC(CN)S(=O)(=O)CCc1cccs1.
What is the InChIKey of 2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine?
The InChIKey is QCZJKZSLNOHNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S2/c1-8(7-10)14(11,12)6-4-9-3-2-5-13-9/h2-3,5,8H,4,6-7,10H2,1H3.
What are the key properties of 2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine?
2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine is sourced from PubChem (CID 81187038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).