N-[(3R)-1-[(1S)-1-(3-chloro-4-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide

C15H23ClN2O3S — CID 100844619

IUPACN-[(3R)-1-[(1S)-1-(3-chloro-4-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide
SMILESCOc1ccc([C@H](C)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1Cl
InChIInChI=1S/C15H23ClN2O3S/c1-11(12-6-7-15(21-2)14(16)9-12)18-8-4-5-13(10-18)17-22(3,19)20/h6-7,9,11,13,17H,4-5,8,10H2,1-3H3/t11-,13+/m0/s1
InChIKeyVCISXDQAJQQFAM-WCQYABFASA-N
MW346.88 g/mol
LogP2.42
Rot. Bonds5

About N-[(3R)-1-[(1S)-1-(3-chloro-4-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide

N-[(3R)-1-[(1S)-1-(3-chloro-4-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide (PubChem CID 100844619) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is N-[(3R)-1-[(1S)-1-(3-chloro-4-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-[(1S)-1-(3-chloro-4-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide
PubChem CID100844619
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC NameN-[(3R)-1-[(1S)-1-(3-chloro-4-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide
SMILESCOc1ccc([C@H](C)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1Cl
InChIInChI=1S/C15H23ClN2O3S/c1-11(12-6-7-15(21-2)14(16)9-12)18-8-4-5-13(10-18)17-22(3,19)20/h6-7,9,11,13,17H,4-5,8,10H2,1-3H3/t11-,13+/m0/s1
InChIKeyVCISXDQAJQQFAM-WCQYABFASA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide
CID 71866104
N-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide
CID 86825009
N-[(3S)-1-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-yl]methanesulfonamide
CID 52534042
1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 115299885
1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine
CID 62534235
N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838903
N-[[(3R)-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838908
N-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide
CID 51079114
1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine
CID 65384153
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine
CID 47411048
(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 40650548

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(1S)-1-(3-chloro-4-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R)-1-[(1S)-1-(3-chloro-4-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide (CID 100844619) is N-[(3R)-1-[(1S)-1-(3-chloro-4-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R)-1-[(1S)-1-(3-chloro-4-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R)-1-[(1S)-1-(3-chloro-4-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide is COc1ccc([C@H](C)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1Cl.
What is the InChIKey of N-[(3R)-1-[(1S)-1-(3-chloro-4-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is VCISXDQAJQQFAM-WCQYABFASA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-11(12-6-7-15(21-2)14(16)9-12)18-8-4-5-13(10-18)17-22(3,19)20/h6-7,9,11,13,17H,4-5,8,10H2,1-3H3/t11-,13+/m0/s1.
What are the key properties of N-[(3R)-1-[(1S)-1-(3-chloro-4-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide?
N-[(3R)-1-[(1S)-1-(3-chloro-4-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 346.88 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(1S)-1-(3-chloro-4-methoxyphenyl)ethyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 100844619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).