3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide

C13H21N3O2S — CID 43588041

IUPAC3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide
SMILESCCCN(CC1CC1)c1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C13H21N3O2S/c1-2-7-16(9-10-3-4-10)13-6-5-11(8-12(13)14)19(15,17)18/h5-6,8,10H,2-4,7,9,14H2,1H3,(H2,15,17,18)
InChIKeyQRIHXBFBXPLJOY-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.54
Rot. Bonds6

About 3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide

3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide (PubChem CID 43588041) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide
PubChem CID43588041
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide
SMILESCCCN(CC1CC1)c1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C13H21N3O2S/c1-2-7-16(9-10-3-4-10)13-6-5-11(8-12(13)14)19(15,17)18/h5-6,8,10H,2-4,7,9,14H2,1H3,(H2,15,17,18)
InChIKeyQRIHXBFBXPLJOY-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide
CID 61444804
4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82899998
3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide
CID 43588001
3-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 115328827
3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide
CID 43264692
N-(cyclopropylmethyl)-2-methyl-N-propyl-5-sulfamoylbenzamide
CID 60637766
3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine
CID 62588869
3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide
CID 54995094
3-amino-4-[methyl(3-methylbutyl)amino]benzenesulfonamide
CID 61429947
2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide
CID 80645589
4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide
CID 106643953
4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine
CID 43587994

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide?
The IUPAC name of 3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide (CID 43588041) is 3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide?
The canonical SMILES for 3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide is CCCN(CC1CC1)c1ccc(S(N)(=O)=O)cc1N.
What is the InChIKey of 3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide?
The InChIKey is QRIHXBFBXPLJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-2-7-16(9-10-3-4-10)13-6-5-11(8-12(13)14)19(15,17)18/h5-6,8,10H,2-4,7,9,14H2,1H3,(H2,15,17,18).
What are the key properties of 3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide?
3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide is sourced from PubChem (CID 43588041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).