4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide

C15H25N3O2S — CID 106643953

IUPAC4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide
SMILESCCCN(CC1CCCNC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H25N3O2S/c1-2-10-18(12-13-4-3-9-17-11-13)14-5-7-15(8-6-14)21(16,19)20/h5-8,13,17H,2-4,9-12H2,1H3,(H2,16,19,20)
InChIKeyQYVQHGDNWDSDFD-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.55
Rot. Bonds6

About 4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide

4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide (PubChem CID 106643953) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide
PubChem CID106643953
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide
SMILESCCCN(CC1CCCNC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H25N3O2S/c1-2-10-18(12-13-4-3-9-17-11-13)14-5-7-15(8-6-14)21(16,19)20/h5-8,13,17H,2-4,9-12H2,1H3,(H2,16,19,20)
InChIKeyQYVQHGDNWDSDFD-UHFFFAOYSA-N
XLogP1.55
TPSA75.43 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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide
CID 106643519
N-butyl-N-(piperidin-3-ylmethyl)aniline
CID 64585199
4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide
CID 106631281
2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide
CID 106643533
4-[piperidin-3-ylmethyl(propyl)amino]pyridine-2-carboxamide
CID 106644188
6-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-sulfonamide
CID 106642822
2-methoxy-N-(piperidin-3-ylmethyl)-N-propylpyridin-4-amine
CID 106643981
N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride
CID 119929267
2-bromo-6-[piperidin-3-ylmethyl(propyl)amino]benzonitrile
CID 106644108
4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide
CID 80553043
2-methyl-6-nitro-N-(piperidin-3-ylmethyl)-N-propylaniline
CID 106644069
3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide
CID 43588041

Frequently Asked Questions

What is the IUPAC name of 4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide?
The IUPAC name of 4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide (CID 106643953) is 4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide?
The canonical SMILES for 4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide is CCCN(CC1CCCNC1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide?
The InChIKey is QYVQHGDNWDSDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-10-18(12-13-4-3-9-17-11-13)14-5-7-15(8-6-14)21(16,19)20/h5-8,13,17H,2-4,9-12H2,1H3,(H2,16,19,20).
What are the key properties of 4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide?
4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide is sourced from PubChem (CID 106643953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).