N-(1-methylpiperidin-4-yl)-3-propanoylbenzenesulfonamide

C15H22N2O3S — CID 60873622

IUPACN-(1-methylpiperidin-4-yl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NC2CCN(C)CC2)c1
InChIInChI=1S/C15H22N2O3S/c1-3-15(18)12-5-4-6-14(11-12)21(19,20)16-13-7-9-17(2)10-8-13/h4-6,11,13,16H,3,7-10H2,1-2H3
InChIKeyBTKJSGZDEUJYRY-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.65
Rot. Bonds5

About N-(1-methylpiperidin-4-yl)-3-propanoylbenzenesulfonamide

N-(1-methylpiperidin-4-yl)-3-propanoylbenzenesulfonamide (PubChem CID 60873622) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-3-propanoylbenzenesulfonamide
PubChem CID60873622
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(1-methylpiperidin-4-yl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NC2CCN(C)CC2)c1
InChIInChI=1S/C15H22N2O3S/c1-3-15(18)12-5-4-6-14(11-12)21(19,20)16-13-7-9-17(2)10-8-13/h4-6,11,13,16H,3,7-10H2,1-2H3
InChIKeyBTKJSGZDEUJYRY-UHFFFAOYSA-N
XLogP1.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(1-methylpiperidin-4-yl)sulfamoyl]benzoate
CID 100692122
3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 51204299
N-(5-oxopyrrolidin-3-yl)-3-propanoylbenzenesulfonamide
CID 104696895
N-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide
CID 114108471
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-propanoylbenzenesulfonic acid
CID 148597255
N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063351
1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one
CID 61253737
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfamoyl]benzoic acid
CID 53255861
N-[(2-methylpropan-2-yl)oxy]-3-propanoylbenzenesulfonamide
CID 107857568
N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide
CID 115282992

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-3-propanoylbenzenesulfonamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-3-propanoylbenzenesulfonamide (CID 60873622) is N-(1-methylpiperidin-4-yl)-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)NC2CCN(C)CC2)c1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-3-propanoylbenzenesulfonamide?
The InChIKey is BTKJSGZDEUJYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-15(18)12-5-4-6-14(11-12)21(19,20)16-13-7-9-17(2)10-8-13/h4-6,11,13,16H,3,7-10H2,1-2H3.
What are the key properties of N-(1-methylpiperidin-4-yl)-3-propanoylbenzenesulfonamide?
N-(1-methylpiperidin-4-yl)-3-propanoylbenzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 60873622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).