5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide

C11H17N3O2S2 — CID 114115545

IUPAC5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide
SMILESCSC1(CNc2ccc(N)cc2S(N)(=O)=O)CC1
InChIInChI=1S/C11H17N3O2S2/c1-17-11(4-5-11)7-14-9-3-2-8(12)6-10(9)18(13,15)16/h2-3,6,14H,4-5,7,12H2,1H3,(H2,13,15,16)
InChIKeyPASYANJILFEBEX-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.22
Rot. Bonds5

About 5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide

5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide (PubChem CID 114115545) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide
PubChem CID114115545
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC Name5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide
SMILESCSC1(CNc2ccc(N)cc2S(N)(=O)=O)CC1
InChIInChI=1S/C11H17N3O2S2/c1-17-11(4-5-11)7-14-9-3-2-8(12)6-10(9)18(13,15)16/h2-3,6,14H,4-5,7,12H2,1H3,(H2,13,15,16)
InChIKeyPASYANJILFEBEX-UHFFFAOYSA-N
XLogP1.22
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide
CID 113472684
5-amino-2-[(3-methyloxolan-3-yl)amino]benzenesulfonamide
CID 113481909
5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide
CID 83013156
5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide
CID 107643436
5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333697
5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide
CID 103287233
5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide
CID 113494452
5-amino-2-(7-methyloctylamino)benzenesulfonamide
CID 107814721
3-[2-(4-amino-2-sulfamoylanilino)ethyl]-1,1-dimethylurea
CID 83116433
2-fluoro-N-[(1-methylsulfanylcyclopropyl)methyl]-4-nitroaniline
CID 107269091
5-amino-2-(2-ethylhexylamino)benzenesulfonamide
CID 107819806
N-[(1-methylsulfanylcyclobutyl)methyl]-2-(trifluoromethylsulfonyl)aniline
CID 107268766

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide?
The IUPAC name of 5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide (CID 114115545) is 5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide?
The canonical SMILES for 5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide is CSC1(CNc2ccc(N)cc2S(N)(=O)=O)CC1.
What is the InChIKey of 5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide?
The InChIKey is PASYANJILFEBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c1-17-11(4-5-11)7-14-9-3-2-8(12)6-10(9)18(13,15)16/h2-3,6,14H,4-5,7,12H2,1H3,(H2,13,15,16).
What are the key properties of 5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide?
5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide has a molecular weight of 287.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 114115545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).