(3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine

C18H27ClN2O2S — CID 1333989

IUPAC(3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine
SMILESC[C@@H]1C[C@H](C)CN(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C18H27ClN2O2S/c1-14-11-15(2)13-20(12-14)17-7-9-21(10-8-17)24(22,23)18-5-3-16(19)4-6-18/h3-6,14-15,17H,7-13H2,1-2H3/t14-,15+
InChIKeyMWNHQWMGBFZDMH-GASCZTMLSA-N
MW370.95 g/mol
LogP3.47
Rot. Bonds3

About (3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine

(3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine (PubChem CID 1333989) has the molecular formula C18H27ClN2O2S and a molecular weight of 370.95 g/mol. Its IUPAC name is (3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name(3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine
PubChem CID1333989
Molecular FormulaC18H27ClN2O2S
Molecular Weight370.95 g/mol
Exact Mass370.15
IUPAC Name(3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine
SMILESC[C@@H]1C[C@H](C)CN(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C18H27ClN2O2S/c1-14-11-15(2)13-20(12-14)17-7-9-21(10-8-17)24(22,23)18-5-3-16(19)4-6-18/h3-6,14-15,17H,7-13H2,1-2H3/t14-,15+
InChIKeyMWNHQWMGBFZDMH-GASCZTMLSA-N
XLogP3.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.95
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
(2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 8743851
3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 17441399
1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
CID 91914700
4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylbenzonitrile
CID 118308396
1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 46287400
1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine
CID 4061277
(3R)-1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 92865653
(2S,6S)-4-[1-(benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine
CID 949390
1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine
CID 154870443
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine?
The IUPAC name of (3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine (CID 1333989) is (3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine.
What is the SMILES notation for (3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine?
The canonical SMILES for (3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine is C[C@@H]1C[C@H](C)CN(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of (3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine?
The InChIKey is MWNHQWMGBFZDMH-GASCZTMLSA-N. The full InChI is InChI=1S/C18H27ClN2O2S/c1-14-11-15(2)13-20(12-14)17-7-9-21(10-8-17)24(22,23)18-5-3-16(19)4-6-18/h3-6,14-15,17H,7-13H2,1-2H3/t14-,15+.
What are the key properties of (3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine?
(3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine has a molecular weight of 370.95 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine is sourced from PubChem (CID 1333989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).