4-[(2-aminocyclopropyl)amino]-N,N-dimethylbenzenesulfonamide

C11H17N3O2S — CID 43598794

IUPAC4-[(2-aminocyclopropyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NC2CC2N)cc1
InChIInChI=1S/C11H17N3O2S/c1-14(2)17(15,16)9-5-3-8(4-6-9)13-11-7-10(11)12/h3-6,10-11,13H,7,12H2,1-2H3
InChIKeyUJJRDEIGZZCJPN-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.45
Rot. Bonds4

About 4-[(2-aminocyclopropyl)amino]-N,N-dimethylbenzenesulfonamide

4-[(2-aminocyclopropyl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 43598794) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-[(2-aminocyclopropyl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-aminocyclopropyl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID43598794
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-[(2-aminocyclopropyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NC2CC2N)cc1
InChIInChI=1S/C11H17N3O2S/c1-14(2)17(15,16)9-5-3-8(4-6-9)13-11-7-10(11)12/h3-6,10-11,13H,7,12H2,1-2H3
InChIKeyUJJRDEIGZZCJPN-UHFFFAOYSA-N
XLogP0.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Methylamino)benzene-1-sulfonamide
CID 14612854
4-amino-N,N-diethylbenzene-1-sulfonamide
CID 95067
4-(Piperazin-1-yl)benzene-1-sulfonamide
CID 901897
4-(4-Methylpiperazine-1-sulfonyl)aniline
CID 567261
4-amino-N-ethyl-N-phenylbenzenesulfonamide
CID 833589
Acetamide, N-[4-[(dimethylamino)sulfonyl]phenyl]-
CID 97278
Oryzalin metabolite OR-7
CID 121474266
4-(Prop-2-yn-1-ylamino)benzenesulfonamide
CID 10512636
4-(3-Benzenesulfonamidophenyl)piperazine
CID 11849196
4-(4-Benzenesulfonamidophenyl)piperazine
CID 11849789
Thiol-arylsulfonamide, 16a
CID 25138248
N-{4-[Methyl-(1-methyl-piperidin-4-yl)-sulfamoyl]-phenyl}-acetamide
CID 673038

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminocyclopropyl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(2-aminocyclopropyl)amino]-N,N-dimethylbenzenesulfonamide (CID 43598794) is 4-[(2-aminocyclopropyl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(2-aminocyclopropyl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(2-aminocyclopropyl)amino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NC2CC2N)cc1.
What is the InChIKey of 4-[(2-aminocyclopropyl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is UJJRDEIGZZCJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-14(2)17(15,16)9-5-3-8(4-6-9)13-11-7-10(11)12/h3-6,10-11,13H,7,12H2,1-2H3.
What are the key properties of 4-[(2-aminocyclopropyl)amino]-N,N-dimethylbenzenesulfonamide?
4-[(2-aminocyclopropyl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocyclopropyl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43598794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).