N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide

C15H25N3O2S — CID 63636485

IUPACN-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide
SMILESCCCN(c1ccccc1S(=O)(=O)NC)C1CCCNC1
InChIInChI=1S/C15H25N3O2S/c1-3-11-18(13-7-6-10-17-12-13)14-8-4-5-9-15(14)21(19,20)16-2/h4-5,8-9,13,16-17H,3,6-7,10-12H2,1-2H3
InChIKeyJJXKWWSYOVYVFM-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.56
Rot. Bonds6

About N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide

N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide (PubChem CID 63636485) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide
PubChem CID63636485
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide
SMILESCCCN(c1ccccc1S(=O)(=O)NC)C1CCCNC1
InChIInChI=1S/C15H25N3O2S/c1-3-11-18(13-7-6-10-17-12-13)14-8-4-5-9-15(14)21(19,20)16-2/h4-5,8-9,13,16-17H,3,6-7,10-12H2,1-2H3
InChIKeyJJXKWWSYOVYVFM-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide
CID 66215341
N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine
CID 63304180
N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine
CID 63304136
2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide
CID 106643534
N-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide
CID 63301799
2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide
CID 102874822
N-piperidin-3-yl-N-propylethanesulfonamide
CID 60806396
N-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine
CID 63636998
2-[propyl(pyrrolidin-3-yl)amino]benzamide
CID 63304357
N-methyl-2-piperidin-3-yloxybenzenesulfonamide
CID 62348851
4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 60806542
N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine
CID 107303774

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide?
The IUPAC name of N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide (CID 63636485) is N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide is CCCN(c1ccccc1S(=O)(=O)NC)C1CCCNC1.
What is the InChIKey of N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide?
The InChIKey is JJXKWWSYOVYVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-11-18(13-7-6-10-17-12-13)14-8-4-5-9-15(14)21(19,20)16-2/h4-5,8-9,13,16-17H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide?
N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide is sourced from PubChem (CID 63636485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).