1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine

C14H20ClNO2S — CID 17257572

IUPAC1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C14H20ClNO2S/c1-11-7-12(2)9-16(8-11)19(17,18)10-13-5-3-4-6-14(13)15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyYHNJEXGTWVPSMA-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.15
Rot. Bonds3

About 1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine

1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine (PubChem CID 17257572) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine
PubChem CID17257572
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C14H20ClNO2S/c1-11-7-12(2)9-16(8-11)19(17,18)10-13-5-3-4-6-14(13)15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyYHNJEXGTWVPSMA-UHFFFAOYSA-N
XLogP3.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine
CID 110749811
(2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine
CID 41301352
2-[(2-chlorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867919
1-benzylsulfonyl-3,5-dimethylpiperidine
CID 3113494
4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine
CID 110292466
1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine
CID 90595184
1-[(2-chlorophenyl)methylsulfonyl]-3-methylsulfonylpyrrolidine
CID 72717812
2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine
CID 110644230
1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine
CID 110868589
1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine
CID 119959043
1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine
CID 110738679
(1R,5R)-3-[(2-chlorophenyl)methylsulfonyl]-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane
CID 98137737

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine (CID 17257572) is 1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine is CC1CC(C)CN(S(=O)(=O)Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine?
The InChIKey is YHNJEXGTWVPSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-11-7-12(2)9-16(8-11)19(17,18)10-13-5-3-4-6-14(13)15/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine?
1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine has a molecular weight of 301.84 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine is sourced from PubChem (CID 17257572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).