1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine

C14H21ClN2O2S — CID 120998781

IUPAC1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine
SMILESCC(C)c1ccc(Cl)c(S(=O)(=O)N2CCCC(N)C2)c1
InChIInChI=1S/C14H21ClN2O2S/c1-10(2)11-5-6-13(15)14(8-11)20(18,19)17-7-3-4-12(16)9-17/h5-6,8,10,12H,3-4,7,9,16H2,1-2H3
InChIKeyQMHVYKMVHHAFDJ-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.58
Rot. Bonds3

About 1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine

1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine (PubChem CID 120998781) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine
PubChem CID120998781
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine
SMILESCC(C)c1ccc(Cl)c(S(=O)(=O)N2CCCC(N)C2)c1
InChIInChI=1S/C14H21ClN2O2S/c1-10(2)11-5-6-13(15)14(8-11)20(18,19)17-7-3-4-12(16)9-17/h5-6,8,10,12H,3-4,7,9,16H2,1-2H3
InChIKeyQMHVYKMVHHAFDJ-UHFFFAOYSA-N
XLogP2.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 43605511
1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-N-methylpyrrolidin-3-amine
CID 120999245
(3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine
CID 28522353
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822
(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 94340425
1-(4-bromo-2,3-dichlorophenyl)sulfonylpiperidin-3-amine
CID 120706112
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028
(3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine
CID 7574254
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952
1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine
CID 120706061
(3R)-1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962428

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine?
The IUPAC name of 1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine (CID 120998781) is 1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for 1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for 1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine is CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCCC(N)C2)c1.
What is the InChIKey of 1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine?
The InChIKey is QMHVYKMVHHAFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-10(2)11-5-6-13(15)14(8-11)20(18,19)17-7-3-4-12(16)9-17/h5-6,8,10,12H,3-4,7,9,16H2,1-2H3.
What are the key properties of 1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine?
1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine has a molecular weight of 316.85 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 120998781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).