1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine

C14H21ClN2O2S — CID 110868589

IUPAC1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-16(2)13-7-9-17(10-8-13)20(18,19)11-12-5-3-4-6-14(12)15/h3-6,13H,7-11H2,1-2H3
InChIKeyHRFJRACTITVOKA-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.20
Rot. Bonds4

About 1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine

1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 110868589) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine
PubChem CID110868589
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-16(2)13-7-9-17(10-8-13)20(18,19)11-12-5-3-4-6-14(12)15/h3-6,13H,7-11H2,1-2H3
InChIKeyHRFJRACTITVOKA-UHFFFAOYSA-N
XLogP2.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine
CID 119959043
1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine
CID 110721356
1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine
CID 110749811
2-[[4-(dimethylamino)piperidin-1-yl]sulfonylmethyl]benzonitrile
CID 43586145
1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine
CID 110738679
1-[(2-chlorophenyl)methylsulfonyl]-3-methylsulfonylpyrrolidine
CID 72717812
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 110394038
methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate
CID 110823326
1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 99956036
2-[(2-chlorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867919
1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine
CID 17257572
1-[(2-chlorophenyl)methylsulfonyl]-4-cyclobutyl-1,4-diazepane
CID 131702233

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine (CID 110868589) is 1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is HRFJRACTITVOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-16(2)13-7-9-17(10-8-13)20(18,19)11-12-5-3-4-6-14(12)15/h3-6,13H,7-11H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine?
1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 316.85 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 110868589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).