1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine

C14H20ClNO2S — CID 110738679

IUPAC1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine
SMILESCC1(C)CCN(S(=O)(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C14H20ClNO2S/c1-14(2)7-9-16(10-8-14)19(17,18)11-12-5-3-4-6-13(12)15/h3-6H,7-11H2,1-2H3
InChIKeyJUHWHJUCYFQHDR-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.29
Rot. Bonds3

About 1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine

1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine (PubChem CID 110738679) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine
PubChem CID110738679
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine
SMILESCC1(C)CCN(S(=O)(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C14H20ClNO2S/c1-14(2)7-9-16(10-8-14)19(17,18)11-12-5-3-4-6-13(12)15/h3-6H,7-11H2,1-2H3
InChIKeyJUHWHJUCYFQHDR-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 62937783
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-pyrrol-1-ylpiperidine
CID 110721356
1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine
CID 110749811
1-[(2-chlorophenyl)methylsulfonyl]-3-methylsulfonylpyrrolidine
CID 72717812
2-[(2-chlorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867919
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 110394038
1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine
CID 17257572
methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate
CID 110823326
1-[(2-chlorophenyl)methylsulfonyl]-4-cyclobutyl-1,4-diazepane
CID 131702233
1'-[(2-chlorophenyl)methylsulfonyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164690045

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine (CID 110738679) is 1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine is CC1(C)CCN(S(=O)(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine?
The InChIKey is JUHWHJUCYFQHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-14(2)7-9-16(10-8-14)19(17,18)11-12-5-3-4-6-13(12)15/h3-6H,7-11H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine?
1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine has a molecular weight of 301.84 g/mol, XLogP of 3.29, 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]-4,4-dimethylpiperidine is sourced from PubChem (CID 110738679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).