3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide

C16H26N2O3S — CID 111022318

IUPAC3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C16H26N2O3S/c1-17-22(20,21)13-5-10-18-11-8-15(9-12-18)16(19)14-6-3-2-4-7-14/h2-4,6-7,15-17,19H,5,8-13H2,1H3
InChIKeyJAVAGRVVZDKXAH-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.37
Rot. Bonds7

About 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide

3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide (PubChem CID 111022318) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide
PubChem CID111022318
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C16H26N2O3S/c1-17-22(20,21)13-5-10-18-11-8-15(9-12-18)16(19)14-6-3-2-4-7-14/h2-4,6-7,15-17,19H,5,8-13H2,1H3
InChIKeyJAVAGRVVZDKXAH-UHFFFAOYSA-N
XLogP1.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile
CID 110884410
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931575
4-[hydroxy(phenyl)methyl]-N-methylpiperidine-1-sulfonamide
CID 167877092
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519
ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate
CID 110922539
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol
CID 110913167
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol
CID 110908629
cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol
CID 144757762
tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate
CID 110903431
N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 110883979
4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol
CID 19937449

Frequently Asked Questions

What is the IUPAC name of 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide (CID 111022318) is 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide is CNS(=O)(=O)CCCN1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide?
The InChIKey is JAVAGRVVZDKXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-17-22(20,21)13-5-10-18-11-8-15(9-12-18)16(19)14-6-3-2-4-7-14/h2-4,6-7,15-17,19H,5,8-13H2,1H3.
What are the key properties of 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide?
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 111022318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).