(3R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide

C19H30ClN3O2S — CID 39983032

IUPAC(3R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESC[C@@H]1C[C@H](C)CN(S(=O)(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C19H30ClN3O2S/c1-15-11-16(2)13-23(12-15)26(24,25)21-19-7-9-22(10-8-19)14-17-3-5-18(20)6-4-17/h3-6,15-16,19,21H,7-14H2,1-2H3/t15-,16+
InChIKeyGJUMTRMJIYQODU-IYBDPMFKSA-N
MW399.99 g/mol
LogP3.12
Rot. Bonds5

About (3R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide

(3R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 39983032) has the molecular formula C19H30ClN3O2S and a molecular weight of 399.99 g/mol. Its IUPAC name is (3R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID39983032
Molecular FormulaC19H30ClN3O2S
Molecular Weight399.99 g/mol
Exact Mass399.17
IUPAC Name(3R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESC[C@@H]1C[C@H](C)CN(S(=O)(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C19H30ClN3O2S/c1-15-11-16(2)13-23(12-15)26(24,25)21-19-7-9-22(10-8-19)14-17-3-5-18(20)6-4-17/h3-6,15-16,19,21H,7-14H2,1-2H3/t15-,16+
InChIKeyGJUMTRMJIYQODU-IYBDPMFKSA-N
XLogP3.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.99
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide
CID 51121961
3,5-dimethyl-N-(4-methylcyclohexyl)piperidine-1-sulfonamide
CID 134062148
(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 94493957
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 18121065
N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8542398
[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid
CID 155341898
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[(3S)-oxolan-3-yl]methanesulfonamide
CID 171352805
N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 42696611
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766
1-[(4-chlorophenyl)methyl]-4-ethylsulfonylpiperazine;oxalic acid
CID 2901979
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide (CID 39983032) is (3R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide is C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of (3R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is GJUMTRMJIYQODU-IYBDPMFKSA-N. The full InChI is InChI=1S/C19H30ClN3O2S/c1-15-11-16(2)13-23(12-15)26(24,25)21-19-7-9-22(10-8-19)14-17-3-5-18(20)6-4-17/h3-6,15-16,19,21H,7-14H2,1-2H3/t15-,16+.
What are the key properties of (3R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide?
(3R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 399.99 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 39983032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).