(2S)-1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-methylpiperidine

C16H24ClNO3S — CID 35201851

IUPAC(2S)-1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-methylpiperidine
SMILESCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C16H24ClNO3S/c1-4-9-21-15-10-12(2)14(17)11-16(15)22(19,20)18-8-6-5-7-13(18)3/h10-11,13H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyMCTLWYLIZUERGK-ZDUSSCGKSA-N
MW345.89 g/mol
LogP4.00
Rot. Bonds5

About (2S)-1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-methylpiperidine

(2S)-1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-methylpiperidine (PubChem CID 35201851) has the molecular formula C16H24ClNO3S and a molecular weight of 345.89 g/mol. Its IUPAC name is (2S)-1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name(2S)-1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-methylpiperidine
PubChem CID35201851
Molecular FormulaC16H24ClNO3S
Molecular Weight345.89 g/mol
Exact Mass345.12
IUPAC Name(2S)-1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-methylpiperidine
SMILESCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C16H24ClNO3S/c1-4-9-21-15-10-12(2)14(17)11-16(15)22(19,20)18-8-6-5-7-13(18)3/h10-11,13H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyMCTLWYLIZUERGK-ZDUSSCGKSA-N
XLogP4.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.89
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide
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(2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2238311
1-[5-chloro-3-(chloromethyl)-2-methylphenyl]sulfonyl-2-methylpiperidine
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1-(5-chloro-2-propoxyphenyl)sulfonylpiperidine
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-methylpiperidine?
The IUPAC name of (2S)-1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-methylpiperidine (CID 35201851) is (2S)-1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for (2S)-1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-methylpiperidine?
The canonical SMILES for (2S)-1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-methylpiperidine is CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1C.
What is the InChIKey of (2S)-1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-methylpiperidine?
The InChIKey is MCTLWYLIZUERGK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24ClNO3S/c1-4-9-21-15-10-12(2)14(17)11-16(15)22(19,20)18-8-6-5-7-13(18)3/h10-11,13H,4-9H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-methylpiperidine?
(2S)-1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-methylpiperidine has a molecular weight of 345.89 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 35201851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).