4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzenesulfonamide

C15H25N3O2S — CID 79705469

IUPAC4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzenesulfonamide
SMILESCC(C)N(CC1CCNCC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H25N3O2S/c1-12(2)18(11-13-7-9-17-10-8-13)14-3-5-15(6-4-14)21(16,19)20/h3-6,12-13,17H,7-11H2,1-2H3,(H2,16,19,20)
InChIKeyGBAKPOYVZSJZNX-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.55
Rot. Bonds5

About 4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzenesulfonamide

4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzenesulfonamide (PubChem CID 79705469) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzenesulfonamide
PubChem CID79705469
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzenesulfonamide
SMILESCC(C)N(CC1CCNCC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H25N3O2S/c1-12(2)18(11-13-7-9-17-10-8-13)14-3-5-15(6-4-14)21(16,19)20/h3-6,12-13,17H,7-11H2,1-2H3,(H2,16,19,20)
InChIKeyGBAKPOYVZSJZNX-UHFFFAOYSA-N
XLogP1.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzenesulfonamide (CID 79705469) is 4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzenesulfonamide is CC(C)N(CC1CCNCC1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzenesulfonamide?
The InChIKey is GBAKPOYVZSJZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12(2)18(11-13-7-9-17-10-8-13)14-3-5-15(6-4-14)21(16,19)20/h3-6,12-13,17H,7-11H2,1-2H3,(H2,16,19,20).
What are the key properties of 4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzenesulfonamide?
4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 79705469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).