1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine

C14H21ClN2O2S — CID 120779997

IUPAC1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(N)C(C)(C)C2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2S/c1-10-4-5-12(11(15)8-10)20(18,19)17-7-6-13(16)14(2,3)9-17/h4-5,8,13H,6-7,9,16H2,1-3H3
InChIKeyGLGPYTUBUKYUJA-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.40
Rot. Bonds2

About 1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine

1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine (PubChem CID 120779997) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
PubChem CID120779997
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(N)C(C)(C)C2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2S/c1-10-4-5-12(11(15)8-10)20(18,19)17-7-6-13(16)14(2,3)9-17/h4-5,8,13H,6-7,9,16H2,1-3H3
InChIKeyGLGPYTUBUKYUJA-UHFFFAOYSA-N
XLogP2.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959179
1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779646
(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962659
methyl 2-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-methylbenzoate
CID 120779112
methyl 2-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-methylbenzoate;hydrochloride
CID 120779111
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868073
1-(4-fluoro-2-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779305
3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 120779666
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 51339666
1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834565
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680582
1-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583142

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine (CID 120779997) is 1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine is Cc1ccc(S(=O)(=O)N2CCC(N)C(C)(C)C2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The InChIKey is GLGPYTUBUKYUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-10-4-5-12(11(15)8-10)20(18,19)17-7-6-13(16)14(2,3)9-17/h4-5,8,13H,6-7,9,16H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine?
1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine has a molecular weight of 316.85 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120779997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).