N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine

C14H21ClN2O2S — CID 106816263

IUPACN-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCc1ccc(CNC2CCN(S(C)(=O)=O)CC2)cc1Cl
InChIInChI=1S/C14H21ClN2O2S/c1-11-3-4-12(9-14(11)15)10-16-13-5-7-17(8-6-13)20(2,18)19/h3-4,9,13,16H,5-8,10H2,1-2H3
InChIKeyJATTZIRLLZYHBJ-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.16
Rot. Bonds4

About N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine

N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 106816263) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
PubChem CID106816263
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCc1ccc(CNC2CCN(S(C)(=O)=O)CC2)cc1Cl
InChIInChI=1S/C14H21ClN2O2S/c1-11-3-4-12(9-14(11)15)10-16-13-5-7-17(8-6-13)20(2,18)19/h3-4,9,13,16H,5-8,10H2,1-2H3
InChIKeyJATTZIRLLZYHBJ-UHFFFAOYSA-N
XLogP2.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 106816549
2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43628772
N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 106816870
N-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 84595460
N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
CID 106818906
1-methylsulfonyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 47030573
N-[(2-bromo-4-fluorophenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 43628921
(3R,4R)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
CID 124865698
N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methylphenyl]methyl]cyclopropanamine
CID 114413951
N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 114122241

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine (CID 106816263) is N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine is Cc1ccc(CNC2CCN(S(C)(=O)=O)CC2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is JATTZIRLLZYHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-11-3-4-12(9-14(11)15)10-16-13-5-7-17(8-6-13)20(2,18)19/h3-4,9,13,16H,5-8,10H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine?
N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 316.85 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 106816263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).