1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine

C16H26N2O2S — CID 63255131

IUPAC1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine
SMILESCCCc1ccc(S(=O)(=O)N2CCCCC2C(C)N)cc1
InChIInChI=1S/C16H26N2O2S/c1-3-6-14-8-10-15(11-9-14)21(19,20)18-12-5-4-7-16(18)13(2)17/h8-11,13,16H,3-7,12,17H2,1-2H3
InChIKeyQIXQGKWJSCBPHC-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.53
Rot. Bonds5

About 1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine

1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine (PubChem CID 63255131) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine
PubChem CID63255131
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine
SMILESCCCc1ccc(S(=O)(=O)N2CCCCC2C(C)N)cc1
InChIInChI=1S/C16H26N2O2S/c1-3-6-14-8-10-15(11-9-14)21(19,20)18-12-5-4-7-16(18)13(2)17/h8-11,13,16H,3-7,12,17H2,1-2H3
InChIKeyQIXQGKWJSCBPHC-UHFFFAOYSA-N
XLogP2.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823
1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine
CID 119965482
1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965481
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine
CID 63255080
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 3790655
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965309
1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63254819
3-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 125118493
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]ethanamine
CID 119965358
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43237854
(2R)-1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923299
1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965451

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine (CID 63255131) is 1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine is CCCc1ccc(S(=O)(=O)N2CCCCC2C(C)N)cc1.
What is the InChIKey of 1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine?
The InChIKey is QIXQGKWJSCBPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-6-14-8-10-15(11-9-14)21(19,20)18-12-5-4-7-16(18)13(2)17/h8-11,13,16H,3-7,12,17H2,1-2H3.
What are the key properties of 1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine?
1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine has a molecular weight of 310.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine is sourced from PubChem (CID 63255131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).