4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide

C15H24N2O2S — CID 60806542

IUPAC4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCCNC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-11-17(14-5-4-10-16-12-14)20(18,19)15-8-6-13(2)7-9-15/h6-9,14,16H,3-5,10-12H2,1-2H3
InChIKeyKYWPSLMQCPPZER-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.15
Rot. Bonds5

About 4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide

4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide (PubChem CID 60806542) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide
PubChem CID60806542
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCCNC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-11-17(14-5-4-10-16-12-14)20(18,19)15-8-6-13(2)7-9-15/h6-9,14,16H,3-5,10-12H2,1-2H3
InChIKeyKYWPSLMQCPPZER-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 63637983
2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide
CID 60800520
N-piperidin-3-yl-N-propylethanesulfonamide
CID 60806396
N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 60807373
N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide
CID 66216683
3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976554
2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide
CID 119976743
2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300552
N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide
CID 107173095
N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide
CID 63765049
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide
CID 119976410
2-bromo-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976816

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide (CID 60806542) is 4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide is CCCN(C1CCCNC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide?
The InChIKey is KYWPSLMQCPPZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-11-17(14-5-4-10-16-12-14)20(18,19)15-8-6-13(2)7-9-15/h6-9,14,16H,3-5,10-12H2,1-2H3.
What are the key properties of 4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide?
4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 60806542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).