N-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide

C14H21ClN2O2S — CID 86825009

IUPACN-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide
SMILESCC(c1cccc(Cl)c1)N1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C14H21ClN2O2S/c1-11(12-5-3-6-13(15)9-12)17-8-4-7-14(10-17)16-20(2,18)19/h3,5-6,9,11,14,16H,4,7-8,10H2,1-2H3
InChIKeyPPAFUDPKEQZXJG-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.41
Rot. Bonds4

About N-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide

N-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide (PubChem CID 86825009) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is N-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide
PubChem CID86825009
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC NameN-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide
SMILESCC(c1cccc(Cl)c1)N1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C14H21ClN2O2S/c1-11(12-5-3-6-13(15)9-12)17-8-4-7-14(10-17)16-20(2,18)19/h3,5-6,9,11,14,16H,4,7-8,10H2,1-2H3
InChIKeyPPAFUDPKEQZXJG-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide
CID 71866104
N-[[(3R)-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838908
N-[(3R)-1-[(1S)-1-(3-chloro-4-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide
CID 100844619
1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925793
N-[(3S)-1-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-yl]methanesulfonamide
CID 52534042
2-[1-(3-chlorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79940142
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine
CID 54965150
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923709
(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905419
1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine
CID 120837905
N-[(3S)-1-[(Z)-3-(3-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide
CID 97455074
N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838903

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide (CID 86825009) is N-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide is CC(c1cccc(Cl)c1)N1CCCC(NS(C)(=O)=O)C1.
What is the InChIKey of N-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is PPAFUDPKEQZXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-11(12-5-3-6-13(15)9-12)17-8-4-7-14(10-17)16-20(2,18)19/h3,5-6,9,11,14,16H,4,7-8,10H2,1-2H3.
What are the key properties of N-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide?
N-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 86825009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).