2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine

C14H22ClNO2S — CID 106730148

IUPAC2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
SMILESCNCC(CCS(=O)(=O)C(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO2S/c1-11(2)19(17,18)9-8-13(10-16-3)12-4-6-14(15)7-5-12/h4-7,11,13,16H,8-10H2,1-3H3
InChIKeyQSSGMNIXRADLPN-UHFFFAOYSA-N
MW303.86 g/mol
LogP2.86
Rot. Bonds7

About 2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine

2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine (PubChem CID 106730148) has the molecular formula C14H22ClNO2S and a molecular weight of 303.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
PubChem CID106730148
Molecular FormulaC14H22ClNO2S
Molecular Weight303.86 g/mol
Exact Mass303.11
IUPAC Name2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
SMILESCNCC(CCS(=O)(=O)C(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO2S/c1-11(2)19(17,18)9-8-13(10-16-3)12-4-6-14(15)7-5-12/h4-7,11,13,16H,8-10H2,1-3H3
InChIKeyQSSGMNIXRADLPN-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.86
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine 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

2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
CID 79441719
N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine
CID 106730122
2-(4-fluorophenyl)-4-propan-2-ylsulfonyl-N-propylbutan-1-amine
CID 106730175
2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 79441568
4-tert-butylsulfonyl-2-(4-chlorophenyl)-N-ethylbutan-1-amine
CID 106730140
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799
N-tert-butyl-2-(4-chlorophenyl)-4-methylsulfonylbutan-1-amine
CID 79438198
2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine
CID 114192541
2-[(2-chlorophenyl)methyl]-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729759
N-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730168
(1-bromo-4-propan-2-ylsulfonylbutan-2-yl)benzene
CID 106734611
2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 66436507

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine (CID 106730148) is 2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine is CNCC(CCS(=O)(=O)C(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine?
The InChIKey is QSSGMNIXRADLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2S/c1-11(2)19(17,18)9-8-13(10-16-3)12-4-6-14(15)7-5-12/h4-7,11,13,16H,8-10H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine?
2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine has a molecular weight of 303.86 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine is sourced from PubChem (CID 106730148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).