N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide

C14H20N2O4S — CID 60956881

IUPACN-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCC(CO)CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-21(19,20)15-13-4-2-12(3-5-13)14(18)16-8-6-11(10-17)7-9-16/h2-5,11,15,17H,6-10H2,1H3
InChIKeyDCAFANGTQZTVKT-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.90
Rot. Bonds4

About N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide

N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 60956881) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID60956881
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCC(CO)CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-21(19,20)15-13-4-2-12(3-5-13)14(18)16-8-6-11(10-17)7-9-16/h2-5,11,15,17H,6-10H2,1H3
InChIKeyDCAFANGTQZTVKT-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535322
N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide
CID 7029961
N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535301
[4-(cyclobutylmethylamino)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 132970853
N-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide
CID 115966226
N-[4-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methanesulfonamide
CID 102738206
N-[4-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 32641762
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557729
4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide
CID 108551873
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564764
4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 108568463
prop-2-enyl 4-[4-(methanesulfonamido)benzoyl]piperazine-1-carboxylate
CID 108568479

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide (CID 60956881) is N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)N2CCC(CO)CC2)cc1.
What is the InChIKey of N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is DCAFANGTQZTVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-21(19,20)15-13-4-2-12(3-5-13)14(18)16-8-6-11(10-17)7-9-16/h2-5,11,15,17H,6-10H2,1H3.
What are the key properties of N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide?
N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 60956881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).