4-[3-(cyclopropylamino)propylamino]benzenesulfonamide

C12H19N3O2S — CID 43599575

IUPAC4-[3-(cyclopropylamino)propylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCCCNC2CC2)cc1
InChIInChI=1S/C12H19N3O2S/c13-18(16,17)12-6-4-11(5-7-12)15-9-1-8-14-10-2-3-10/h4-7,10,14-15H,1-3,8-9H2,(H2,13,16,17)
InChIKeySBEYCMTVXZLUTG-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.89
Rot. Bonds7

About 4-[3-(cyclopropylamino)propylamino]benzenesulfonamide

4-[3-(cyclopropylamino)propylamino]benzenesulfonamide (PubChem CID 43599575) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[3-(cyclopropylamino)propylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(cyclopropylamino)propylamino]benzenesulfonamide
PubChem CID43599575
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-[3-(cyclopropylamino)propylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCCCNC2CC2)cc1
InChIInChI=1S/C12H19N3O2S/c13-18(16,17)12-6-4-11(5-7-12)15-9-1-8-14-10-2-3-10/h4-7,10,14-15H,1-3,8-9H2,(H2,13,16,17)
InChIKeySBEYCMTVXZLUTG-UHFFFAOYSA-N
XLogP0.89
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminopropylamino)benzenesulfonamide
CID 43453740
4-[3-(dimethylamino)propylamino]benzenesulfonamide
CID 23290121
4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide
CID 79742039
4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide
CID 106306869
4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide
CID 63760437
4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide
CID 54995674
N-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine
CID 115689729
4-[[4-(octadecylamino)phenyl]diazenyl]benzenesulfonamide
CID 71335414
4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide
CID 29302845
4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide
CID 61012057
4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64500491

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylamino)propylamino]benzenesulfonamide?
The IUPAC name of 4-[3-(cyclopropylamino)propylamino]benzenesulfonamide (CID 43599575) is 4-[3-(cyclopropylamino)propylamino]benzenesulfonamide.
What is the SMILES notation for 4-[3-(cyclopropylamino)propylamino]benzenesulfonamide?
The canonical SMILES for 4-[3-(cyclopropylamino)propylamino]benzenesulfonamide is NS(=O)(=O)c1ccc(NCCCNC2CC2)cc1.
What is the InChIKey of 4-[3-(cyclopropylamino)propylamino]benzenesulfonamide?
The InChIKey is SBEYCMTVXZLUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-18(16,17)12-6-4-11(5-7-12)15-9-1-8-14-10-2-3-10/h4-7,10,14-15H,1-3,8-9H2,(H2,13,16,17).
What are the key properties of 4-[3-(cyclopropylamino)propylamino]benzenesulfonamide?
4-[3-(cyclopropylamino)propylamino]benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylamino)propylamino]benzenesulfonamide is sourced from PubChem (CID 43599575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).