3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide

C10H15N3O2S — CID 43264692

IUPAC3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide
SMILESCN(c1ccc(S(N)(=O)=O)cc1N)C1CC1
InChIInChI=1S/C10H15N3O2S/c1-13(7-2-3-7)10-5-4-8(6-9(10)11)16(12,14)15/h4-7H,2-3,11H2,1H3,(H2,12,14,15)
InChIKeyVVIDONNSRIHZPI-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.51
Rot. Bonds3

About 3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide

3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide (PubChem CID 43264692) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide
PubChem CID43264692
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide
SMILESCN(c1ccc(S(N)(=O)=O)cc1N)C1CC1
InChIInChI=1S/C10H15N3O2S/c1-13(7-2-3-7)10-5-4-8(6-9(10)11)16(12,14)15/h4-7H,2-3,11H2,1H3,(H2,12,14,15)
InChIKeyVVIDONNSRIHZPI-UHFFFAOYSA-N
XLogP0.51
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.51
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-fluoro-4-[methyl-(4-oxocyclohexyl)amino]benzenesulfonamide
CID 79119967
3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide
CID 61444804
3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide
CID 54995094
3-amino-4-[methyl(3-methylbutyl)amino]benzenesulfonamide
CID 61429947
1-N-methyl-1-N-(3-methylcyclohexyl)-4-methylsulfonylbenzene-1,2-diamine
CID 61444856
4-[(4-hydroxy-4-methylcyclohexyl)-methylamino]-3-nitrobenzenesulfonamide
CID 67126671
3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide
CID 43588041
3-amino-4-[cyclopropyl(methyl)amino]benzamide
CID 43448462
3-amino-4-(N-methylanilino)benzenesulfonamide;propane
CID 144610169
4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide
CID 82907914
1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide
CID 47358758
2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 43264707

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide?
The IUPAC name of 3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide (CID 43264692) is 3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide?
The canonical SMILES for 3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide is CN(c1ccc(S(N)(=O)=O)cc1N)C1CC1.
What is the InChIKey of 3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide?
The InChIKey is VVIDONNSRIHZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-13(7-2-3-7)10-5-4-8(6-9(10)11)16(12,14)15/h4-7H,2-3,11H2,1H3,(H2,12,14,15).
What are the key properties of 3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide?
3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide has a molecular weight of 241.32 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide is sourced from PubChem (CID 43264692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).