1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine

C12H17ClN2O2S — CID 119959043

IUPAC1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine
SMILESNC1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C12H17ClN2O2S/c13-12-4-2-1-3-10(12)9-18(16,17)15-7-5-11(14)6-8-15/h1-4,11H,5-9,14H2
InChIKeyHWGHXGMVTHKSRL-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.59
Rot. Bonds3

About 1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine

1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine (PubChem CID 119959043) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine
PubChem CID119959043
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine
SMILESNC1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C12H17ClN2O2S/c13-12-4-2-1-3-10(12)9-18(16,17)15-7-5-11(14)6-8-15/h1-4,11H,5-9,14H2
InChIKeyHWGHXGMVTHKSRL-UHFFFAOYSA-N
XLogP1.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-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

1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine
CID 110721356
1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine
CID 110868589
1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine
CID 110749811
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 110394038
1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine
CID 110738679
3-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]oxypropan-1-amine
CID 126807255
1-[(2-chlorophenyl)methylsulfonyl]-3-methylsulfonylpyrrolidine
CID 72717812
2-[(2-chlorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867919
1-[(2-chlorophenyl)methylsulfonyl]-4-cyclobutyl-1,4-diazepane
CID 131702233
methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate
CID 110823326
1-[(2-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine
CID 110725891
N-(4-carbamoylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46265573

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine (CID 119959043) is 1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine is NC1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine?
The InChIKey is HWGHXGMVTHKSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c13-12-4-2-1-3-10(12)9-18(16,17)15-7-5-11(14)6-8-15/h1-4,11H,5-9,14H2.
What are the key properties of 1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine?
1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine has a molecular weight of 288.80 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine is sourced from PubChem (CID 119959043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).