[1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol

C15H24N2O3S — CID 62151316

IUPAC[1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol
SMILESCCCNc1ccccc1S(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C15H24N2O3S/c1-2-10-16-14-8-3-4-9-15(14)21(19,20)17-11-6-5-7-13(17)12-18/h3-4,8-9,13,16,18H,2,5-7,10-12H2,1H3
InChIKeyUAPXCLQXNXAUIV-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.04
Rot. Bonds6

About [1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol

[1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol (PubChem CID 62151316) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is [1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol
PubChem CID62151316
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name[1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol
SMILESCCCNc1ccccc1S(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C15H24N2O3S/c1-2-10-16-14-8-3-4-9-15(14)21(19,20)17-11-6-5-7-13(17)12-18/h3-4,8-9,13,16,18H,2,5-7,10-12H2,1H3
InChIKeyUAPXCLQXNXAUIV-UHFFFAOYSA-N
XLogP2.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83062064
N-ethyl-2-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 62164191
[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875
[1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol
CID 43579020
2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide
CID 61407406
1-(2-fluorophenyl)sulfonyl-2-propylpiperidine
CID 83052559
methyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 79028511
[1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
CID 62156705
[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-2-yl]methanol
CID 103305482
[1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
CID 62157239
N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide
CID 62146052
N-cyclohexyl-2-(propylamino)benzenesulfonamide
CID 62149807

Frequently Asked Questions

What is the IUPAC name of [1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol?
The IUPAC name of [1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol (CID 62151316) is [1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol?
The canonical SMILES for [1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol is CCCNc1ccccc1S(=O)(=O)N1CCCCC1CO.
What is the InChIKey of [1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol?
The InChIKey is UAPXCLQXNXAUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-10-16-14-8-3-4-9-15(14)21(19,20)17-11-6-5-7-13(17)12-18/h3-4,8-9,13,16,18H,2,5-7,10-12H2,1H3.
What are the key properties of [1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol?
[1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol has a molecular weight of 312.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol is sourced from PubChem (CID 62151316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).