1-[4-(2-methylpropylsulfonyl)phenyl]ethanamine

C12H19NO2S — CID 82550580

IUPAC1-[4-(2-methylpropylsulfonyl)phenyl]ethanamine
SMILESCC(C)CS(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C12H19NO2S/c1-9(2)8-16(14,15)12-6-4-11(5-7-12)10(3)13/h4-7,9-10H,8,13H2,1-3H3
InChIKeyHUKVABWYJFLSNR-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.14
Rot. Bonds4

About 1-[4-(2-methylpropylsulfonyl)phenyl]ethanamine

1-[4-(2-methylpropylsulfonyl)phenyl]ethanamine (PubChem CID 82550580) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-[4-(2-methylpropylsulfonyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-methylpropylsulfonyl)phenyl]ethanamine
PubChem CID82550580
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-[4-(2-methylpropylsulfonyl)phenyl]ethanamine
SMILESCC(C)CS(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C12H19NO2S/c1-9(2)8-16(14,15)12-6-4-11(5-7-12)10(3)13/h4-7,9-10H,8,13H2,1-3H3
InChIKeyHUKVABWYJFLSNR-UHFFFAOYSA-N
XLogP2.14
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-methylpropylsulfonyl)phenyl]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

1-bromo-4-(2-methylpropylsulfonyl)benzene
CID 56776816
2-methyl-4-(2-methylpropylsulfonyl)aniline
CID 81182256
4-(1-aminoethyl)-N-pentylbenzenesulfonamide
CID 43095770
1-(benzenesulfonyl)propan-2-amine
CID 62917209
N-[[4-(2-methylpropylsulfonyl)phenyl]methyl]ethanamine
CID 82550554
4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470980
4-(1-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546293
4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide
CID 43102631
(1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol
CID 121290550
(1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine
CID 78939076
amino-(4-ethylsulfonylphenyl)methanethiol
CID 116939510
amino-(4-ethylsulfonylphenyl)methanol
CID 116939662

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropylsulfonyl)phenyl]ethanamine?
The IUPAC name of 1-[4-(2-methylpropylsulfonyl)phenyl]ethanamine (CID 82550580) is 1-[4-(2-methylpropylsulfonyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(2-methylpropylsulfonyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(2-methylpropylsulfonyl)phenyl]ethanamine is CC(C)CS(=O)(=O)c1ccc(C(C)N)cc1.
What is the InChIKey of 1-[4-(2-methylpropylsulfonyl)phenyl]ethanamine?
The InChIKey is HUKVABWYJFLSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-9(2)8-16(14,15)12-6-4-11(5-7-12)10(3)13/h4-7,9-10H,8,13H2,1-3H3.
What are the key properties of 1-[4-(2-methylpropylsulfonyl)phenyl]ethanamine?
1-[4-(2-methylpropylsulfonyl)phenyl]ethanamine has a molecular weight of 241.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropylsulfonyl)phenyl]ethanamine is sourced from PubChem (CID 82550580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).