3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide

C15H24N2O3S — CID 63870833

IUPAC3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCCOC2CCNCC2)c1
InChIInChI=1S/C15H24N2O3S/c1-13-4-2-5-15(12-13)21(18,19)17-8-3-11-20-14-6-9-16-10-7-14/h2,4-5,12,14,16-17H,3,6-11H2,1H3
InChIKeyVQKGKCKOMGWTCH-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.43
Rot. Bonds7

About 3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide

3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide (PubChem CID 63870833) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide
PubChem CID63870833
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCCOC2CCNCC2)c1
InChIInChI=1S/C15H24N2O3S/c1-13-4-2-5-15(12-13)21(18,19)17-8-3-11-20-14-6-9-16-10-7-14/h2,4-5,12,14,16-17H,3,6-11H2,1H3
InChIKeyVQKGKCKOMGWTCH-UHFFFAOYSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyano-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
CID 63870489
2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
CID 63871828
2-methyl-N-(3-piperidin-4-yloxypropyl)-1,3-thiazole-5-sulfonamide
CID 103415141
4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
CID 63870153
3-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]benzenesulfonamide
CID 55905470
5-chloro-N-(3-piperidin-4-yloxypropyl)thiophene-2-sulfonamide
CID 63869653
N-(3-cyanopropyl)-3-methylbenzenesulfonamide
CID 62667392
N-[3-(butylamino)propyl]-3-methylbenzenesulfonamide
CID 155203443
N-(5-bromo-4-methylpentyl)-3-methylbenzenesulfonamide
CID 106158703
2-chloro-N-(3-cyclohexyloxypropyl)-4-methylbenzenesulfonamide
CID 32679937
N-[2-(2-bromoethoxy)ethyl]-3-methylbenzenesulfonamide
CID 114295997
N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide
CID 63869320

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide (CID 63870833) is 3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)NCCCOC2CCNCC2)c1.
What is the InChIKey of 3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide?
The InChIKey is VQKGKCKOMGWTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-13-4-2-5-15(12-13)21(18,19)17-8-3-11-20-14-6-9-16-10-7-14/h2,4-5,12,14,16-17H,3,6-11H2,1H3.
What are the key properties of 3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide?
3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide is sourced from PubChem (CID 63870833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).