(2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine

C15H24N2O2S — CID 124591921

IUPAC(2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine
SMILESCCCc1ccc(S(=O)(=O)N2CC[C@H](N)C[C@@H]2C)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-4-13-5-7-15(8-6-13)20(18,19)17-10-9-14(16)11-12(17)2/h5-8,12,14H,3-4,9-11,16H2,1-2H3/t12-,14-/m0/s1
InChIKeyGNBNBINASZVVIK-JSGCOSHPSA-N
MW296.44 g/mol
LogP2.14
Rot. Bonds4

About (2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine

(2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine (PubChem CID 124591921) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name(2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine
PubChem CID124591921
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name(2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine
SMILESCCCc1ccc(S(=O)(=O)N2CC[C@H](N)C[C@@H]2C)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-4-13-5-7-15(8-6-13)20(18,19)17-10-9-14(16)11-12(17)2/h5-8,12,14H,3-4,9-11,16H2,1-2H3/t12-,14-/m0/s1
InChIKeyGNBNBINASZVVIK-JSGCOSHPSA-N
XLogP2.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823
4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide
CID 115312529
2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 115312519
2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine
CID 113284464
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
(2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 124573846
1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 113284452
2-methyl-1-(4-pentylphenyl)sulfonylpiperidine
CID 3419634
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 3790655
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43237854
(2R)-1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923299
1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63255131

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of (2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine (CID 124591921) is (2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for (2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for (2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine is CCCc1ccc(S(=O)(=O)N2CC[C@H](N)C[C@@H]2C)cc1.
What is the InChIKey of (2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine?
The InChIKey is GNBNBINASZVVIK-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-4-13-5-7-15(8-6-13)20(18,19)17-10-9-14(16)11-12(17)2/h5-8,12,14H,3-4,9-11,16H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine?
(2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine has a molecular weight of 296.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 124591921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).