1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine

C14H22N2O2S — CID 43605511

IUPAC1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCCC(N)C2)cc1
InChIInChI=1S/C14H22N2O2S/c1-11(2)12-5-7-14(8-6-12)19(17,18)16-9-3-4-13(15)10-16/h5-8,11,13H,3-4,9-10,15H2,1-2H3
InChIKeyVYFLTGZSQQVNRY-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.92
Rot. Bonds3

About 1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine

1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine (PubChem CID 43605511) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine
PubChem CID43605511
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCCC(N)C2)cc1
InChIInChI=1S/C14H22N2O2S/c1-11(2)12-5-7-14(8-6-12)19(17,18)16-9-3-4-13(15)10-16/h5-8,11,13H,3-4,9-10,15H2,1-2H3
InChIKeyVYFLTGZSQQVNRY-UHFFFAOYSA-N
XLogP1.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 94340425
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine
CID 65244701
1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 120998781
4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide
CID 43605483
1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959888
1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 119959783
4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride
CID 119959773
[1-[4-(4-propan-2-ylphenyl)phenyl]sulfonylpyrrolidin-3-yl]methanesulfonamide
CID 171908264
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide
CID 58702063
N-(2-aminoethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971355
5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 119959710
1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120706026

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine?
The IUPAC name of 1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine (CID 43605511) is 1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine is CC(C)c1ccc(S(=O)(=O)N2CCCC(N)C2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine?
The InChIKey is VYFLTGZSQQVNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(2)12-5-7-14(8-6-12)19(17,18)16-9-3-4-13(15)10-16/h5-8,11,13H,3-4,9-10,15H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine?
1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine has a molecular weight of 282.41 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 43605511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).