N-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide

C15H25N3O2S — CID 62143440

IUPACN-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide
SMILESCCCNc1ccccc1S(=O)(=O)NC1CCN(C)CC1
InChIInChI=1S/C15H25N3O2S/c1-3-10-16-14-6-4-5-7-15(14)21(19,20)17-13-8-11-18(2)12-9-13/h4-7,13,16-17H,3,8-12H2,1-2H3
InChIKeyDCJAQFHNPQTGDL-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.88
Rot. Bonds6

About N-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide

N-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide (PubChem CID 62143440) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide
PubChem CID62143440
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide
SMILESCCCNc1ccccc1S(=O)(=O)NC1CCN(C)CC1
InChIInChI=1S/C15H25N3O2S/c1-3-10-16-14-6-4-5-7-15(14)21(19,20)17-13-8-11-18(2)12-9-13/h4-7,13,16-17H,3,8-12H2,1-2H3
InChIKeyDCJAQFHNPQTGDL-UHFFFAOYSA-N
XLogP1.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(propylamino)benzenesulfonamide
CID 62149807
N-cyclopropyl-2-(pentylamino)benzenesulfonamide
CID 43454657
N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide
CID 62663053
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62146904
2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43215397
2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide
CID 106127786
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide
CID 62156688
N-cyclopropyl-2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 115520486
N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide
CID 62146052
N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide
CID 43454668

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide (CID 62143440) is N-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide is CCCNc1ccccc1S(=O)(=O)NC1CCN(C)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide?
The InChIKey is DCJAQFHNPQTGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-10-16-14-6-4-5-7-15(14)21(19,20)17-13-8-11-18(2)12-9-13/h4-7,13,16-17H,3,8-12H2,1-2H3.
What are the key properties of N-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide?
N-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide is sourced from PubChem (CID 62143440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).