N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide

C17H26N2O3S — CID 110822627

IUPACN-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)CCc2cccc(C)c2)CC1
InChIInChI=1S/C17H26N2O3S/c1-3-23(21,22)18-16-9-11-19(12-10-16)17(20)8-7-15-6-4-5-14(2)13-15/h4-6,13,16,18H,3,7-12H2,1-2H3
InChIKeyCXWRNDGIWLFITK-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.86
Rot. Bonds6

About N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide

N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide (PubChem CID 110822627) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide
PubChem CID110822627
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)CCc2cccc(C)c2)CC1
InChIInChI=1S/C17H26N2O3S/c1-3-23(21,22)18-16-9-11-19(12-10-16)17(20)8-7-15-6-4-5-14(2)13-15/h4-6,13,16,18H,3,7-12H2,1-2H3
InChIKeyCXWRNDGIWLFITK-UHFFFAOYSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110819327
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(3-methylphenyl)propan-1-one;hydrochloride
CID 119644243
3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide
CID 110819545
N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566076
2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566075
N-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide
CID 110810944
1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 51329229
1-[3-(3-methylphenyl)propanoyl]piperidin-4-one
CID 55024615
N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
CID 65415873
tert-butyl N-[3-[[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919706
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 110708807
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 120818633

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide (CID 110822627) is N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(=O)CCc2cccc(C)c2)CC1.
What is the InChIKey of N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide?
The InChIKey is CXWRNDGIWLFITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-23(21,22)18-16-9-11-19(12-10-16)17(20)8-7-15-6-4-5-14(2)13-15/h4-6,13,16,18H,3,7-12H2,1-2H3.
What are the key properties of N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide?
N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 110822627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).