[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine

C13H18Cl2N2O2S — CID 119969410

IUPAC[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2S/c14-12-5-4-10(7-13(12)15)9-20(18,19)17-6-2-1-3-11(17)8-16/h4-5,7,11H,1-3,6,8-9,16H2
InChIKeyMTHQWXWIBONAOH-UHFFFAOYSA-N
MW337.27 g/mol
LogP2.64
Rot. Bonds4

About [1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine

[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine (PubChem CID 119969410) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is [1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine
PubChem CID119969410
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC Name[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2S/c14-12-5-4-10(7-13(12)15)9-20(18,19)17-6-2-1-3-11(17)8-16/h4-5,7,11H,1-3,6,8-9,16H2
InChIKeyMTHQWXWIBONAOH-UHFFFAOYSA-N
XLogP2.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine 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-[(3,4-dichlorophenyl)methylsulfonyl]-2-methylpiperidine
CID 56513515
[(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine
CID 97165454
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 119969227
[(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine
CID 124695078
[(2R)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methanol
CID 109478282
[1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol
CID 43579017
1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-3-amine;hydrochloride
CID 119959718
3-[[2-(aminomethyl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 115312346
1-[2-(aminomethyl)piperidin-1-yl]-2-(3,4-dichlorophenyl)ethanone;hydrochloride
CID 119468471
1-[(3,4-dichlorophenyl)methylsulfonyl]-4-ethylsulfonylpiperazine
CID 56581987
2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide
CID 106057730
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 56581849

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine?
The IUPAC name of [1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine (CID 119969410) is [1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine is NCC1CCCCN1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine?
The InChIKey is MTHQWXWIBONAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c14-12-5-4-10(7-13(12)15)9-20(18,19)17-6-2-1-3-11(17)8-16/h4-5,7,11H,1-3,6,8-9,16H2.
What are the key properties of [1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine?
[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine has a molecular weight of 337.27 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 119969410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).