1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine

C15H18ClNO2S — CID 121187216

IUPAC1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(=C3CC3)CC2)cc1Cl
InChIInChI=1S/C15H18ClNO2S/c1-11-2-5-14(10-15(11)16)20(18,19)17-8-6-13(7-9-17)12-3-4-12/h2,5,10H,3-4,6-9H2,1H3
InChIKeyDOZLPYRJRDGJSI-UHFFFAOYSA-N
MW311.83 g/mol
LogP3.52
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine

1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine (PubChem CID 121187216) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine
PubChem CID121187216
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC Name1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(=C3CC3)CC2)cc1Cl
InChIInChI=1S/C15H18ClNO2S/c1-11-2-5-14(10-15(11)16)20(18,19)17-8-6-13(7-9-17)12-3-4-12/h2,5,10H,3-4,6-9H2,1H3
InChIKeyDOZLPYRJRDGJSI-UHFFFAOYSA-N
XLogP3.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247
4-cyclopropylidene-1-(3,4-difluorophenyl)sulfonylpiperidine
CID 121187202
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182
2-(3-chloro-4-methylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867913
4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine
CID 121187227
(3aS,6aR)-5-(3-chloro-4-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665823
3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341388
4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine
CID 121187246
5-(3-chloro-4-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 53145359
1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595182
1-[4-(3-chloro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 3831126
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1261021

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine (CID 121187216) is 1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine is Cc1ccc(S(=O)(=O)N2CCC(=C3CC3)CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine?
The InChIKey is DOZLPYRJRDGJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2S/c1-11-2-5-14(10-15(11)16)20(18,19)17-8-6-13(7-9-17)12-3-4-12/h2,5,10H,3-4,6-9H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine?
1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine has a molecular weight of 311.83 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine is sourced from PubChem (CID 121187216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).