2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]oxan-4-amine

C17H26N2O3S — CID 128847076

IUPAC2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]oxan-4-amine
SMILESCc1cccc(S(=O)(=O)N2CCC(C3CC(N)CCO3)CC2)c1
InChIInChI=1S/C17H26N2O3S/c1-13-3-2-4-16(11-13)23(20,21)19-8-5-14(6-9-19)17-12-15(18)7-10-22-17/h2-4,11,14-15,17H,5-10,12,18H2,1H3
InChIKeyCMGLKTXSKAFVCW-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.90
Rot. Bonds3

About 2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]oxan-4-amine

2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]oxan-4-amine (PubChem CID 128847076) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]oxan-4-amine.

Molecular Properties

Compound Name2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]oxan-4-amine
PubChem CID128847076
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]oxan-4-amine
SMILESCc1cccc(S(=O)(=O)N2CCC(C3CC(N)CCO3)CC2)c1
InChIInChI=1S/C17H26N2O3S/c1-13-3-2-4-16(11-13)23(20,21)19-8-5-14(6-9-19)17-12-15(18)7-10-22-17/h2-4,11,14-15,17H,5-10,12,18H2,1H3
InChIKeyCMGLKTXSKAFVCW-UHFFFAOYSA-N
XLogP1.90
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine
CID 110708713
2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine
CID 113284464
1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine
CID 103976185
[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62370440
1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
CID 113074976
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252952
1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine
CID 90522429
ethyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 3816303
1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714337
3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43556327

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]oxan-4-amine?
The IUPAC name of 2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]oxan-4-amine (CID 128847076) is 2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]oxan-4-amine.
What is the SMILES notation for 2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]oxan-4-amine?
The canonical SMILES for 2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]oxan-4-amine is Cc1cccc(S(=O)(=O)N2CCC(C3CC(N)CCO3)CC2)c1.
What is the InChIKey of 2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]oxan-4-amine?
The InChIKey is CMGLKTXSKAFVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-3-2-4-16(11-13)23(20,21)19-8-5-14(6-9-19)17-12-15(18)7-10-22-17/h2-4,11,14-15,17H,5-10,12,18H2,1H3.
What are the key properties of 2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]oxan-4-amine?
2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]oxan-4-amine has a molecular weight of 338.47 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]oxan-4-amine is sourced from PubChem (CID 128847076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).