N-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide

C14H20N2O4S — CID 102736733

IUPACN-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(S(=O)(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C14H20N2O4S/c1-11(17)15-10-12-6-8-16(9-7-12)21(19,20)14-4-2-13(18)3-5-14/h2-5,12,18H,6-10H2,1H3,(H,15,17)
InChIKeyUUZGLRLTINXSSU-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.93
Rot. Bonds4

About N-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide

N-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide (PubChem CID 102736733) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide
PubChem CID102736733
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(S(=O)(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C14H20N2O4S/c1-11(17)15-10-12-6-8-16(9-7-12)21(19,20)14-4-2-13(18)3-5-14/h2-5,12,18H,6-10H2,1H3,(H,15,17)
InChIKeyUUZGLRLTINXSSU-UHFFFAOYSA-N
XLogP0.93
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 49065807
tert-butyl N-[[1-(4-aminophenyl)sulfonylpiperidin-4-yl]methyl]carbamate
CID 23553541
tert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate
CID 167214287
N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 102735864
4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
CID 2666739
N-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide
CID 102736166
4-[(2S)-2-hydroxy-3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methylamino]propoxy]phenol
CID 70001951
methyl 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetate
CID 11609299
N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63879144
1-(4-cyanophenyl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 33456378
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide
CID 60604892

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide (CID 102736733) is N-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(S(=O)(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of N-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide?
The InChIKey is UUZGLRLTINXSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-11(17)15-10-12-6-8-16(9-7-12)21(19,20)14-4-2-13(18)3-5-14/h2-5,12,18H,6-10H2,1H3,(H,15,17).
What are the key properties of N-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide?
N-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide has a molecular weight of 312.39 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).