[4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine

C15H24N2O2S — CID 62204890

IUPAC[4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCCCC1CCN(S(=O)(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C15H24N2O2S/c1-2-3-13-8-10-17(11-9-13)20(18,19)15-6-4-14(12-16)5-7-15/h4-7,13H,2-3,8-12,16H2,1H3
InChIKeyNORBQZZSHLEXHZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.35
Rot. Bonds5

About [4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine

[4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine (PubChem CID 62204890) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is [4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine
PubChem CID62204890
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name[4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCCCC1CCN(S(=O)(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C15H24N2O2S/c1-2-3-13-8-10-17(11-9-13)20(18,19)15-6-4-14(12-16)5-7-15/h4-7,13H,2-3,8-12,16H2,1H3
InChIKeyNORBQZZSHLEXHZ-UHFFFAOYSA-N
XLogP2.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid
CID 62206118
2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114797364
2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone
CID 63590690
1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol
CID 102956939
5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine
CID 55050229
[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030896
4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62206687
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
[4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine
CID 154513056
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295
(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993597
[4-[4-(2-methylpropyl)piperazin-1-yl]sulfonylphenyl]methanamine
CID 62777478

Frequently Asked Questions

What is the IUPAC name of [4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine?
The IUPAC name of [4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine (CID 62204890) is [4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for [4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine?
The canonical SMILES for [4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine is CCCC1CCN(S(=O)(=O)c2ccc(CN)cc2)CC1.
What is the InChIKey of [4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine?
The InChIKey is NORBQZZSHLEXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-3-13-8-10-17(11-9-13)20(18,19)15-6-4-14(12-16)5-7-15/h4-7,13H,2-3,8-12,16H2,1H3.
What are the key properties of [4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine?
[4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine has a molecular weight of 296.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine is sourced from PubChem (CID 62204890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).