2-[3-aminopropyl(cyclobutyl)amino]benzenesulfonamide

C13H21N3O2S — CID 102874536

IUPAC2-[3-aminopropyl(cyclobutyl)amino]benzenesulfonamide
SMILESNCCCN(c1ccccc1S(N)(=O)=O)C1CCC1
InChIInChI=1S/C13H21N3O2S/c14-9-4-10-16(11-5-3-6-11)12-7-1-2-8-13(12)19(15,17)18/h1-2,7-8,11H,3-6,9-10,14H2,(H2,15,17,18)
InChIKeyKTGCBSRKWOPIBN-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.04
Rot. Bonds6

About 2-[3-aminopropyl(cyclobutyl)amino]benzenesulfonamide

2-[3-aminopropyl(cyclobutyl)amino]benzenesulfonamide (PubChem CID 102874536) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[3-aminopropyl(cyclobutyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-aminopropyl(cyclobutyl)amino]benzenesulfonamide
PubChem CID102874536
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-[3-aminopropyl(cyclobutyl)amino]benzenesulfonamide
SMILESNCCCN(c1ccccc1S(N)(=O)=O)C1CCC1
InChIInChI=1S/C13H21N3O2S/c14-9-4-10-16(11-5-3-6-11)12-7-1-2-8-13(12)19(15,17)18/h1-2,7-8,11H,3-6,9-10,14H2,(H2,15,17,18)
InChIKeyKTGCBSRKWOPIBN-UHFFFAOYSA-N
XLogP1.04
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(cyclobutyl)amino]benzenesulfonamide?
The IUPAC name of 2-[3-aminopropyl(cyclobutyl)amino]benzenesulfonamide (CID 102874536) is 2-[3-aminopropyl(cyclobutyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-[3-aminopropyl(cyclobutyl)amino]benzenesulfonamide?
The canonical SMILES for 2-[3-aminopropyl(cyclobutyl)amino]benzenesulfonamide is NCCCN(c1ccccc1S(N)(=O)=O)C1CCC1.
What is the InChIKey of 2-[3-aminopropyl(cyclobutyl)amino]benzenesulfonamide?
The InChIKey is KTGCBSRKWOPIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c14-9-4-10-16(11-5-3-6-11)12-7-1-2-8-13(12)19(15,17)18/h1-2,7-8,11H,3-6,9-10,14H2,(H2,15,17,18).
What are the key properties of 2-[3-aminopropyl(cyclobutyl)amino]benzenesulfonamide?
2-[3-aminopropyl(cyclobutyl)amino]benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(cyclobutyl)amino]benzenesulfonamide is sourced from PubChem (CID 102874536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).