5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide

C12H19N3O3S — CID 103287233

IUPAC5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NCC1(CO)CC1
InChIInChI=1S/C12H19N3O3S/c1-14-19(17,18)11-6-9(13)2-3-10(11)15-7-12(8-16)4-5-12/h2-3,6,14-16H,4-5,7-8,13H2,1H3
InChIKeyKSWDJDQGHLZPHK-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.36
Rot. Bonds6

About 5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide

5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide (PubChem CID 103287233) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide
PubChem CID103287233
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NCC1(CO)CC1
InChIInChI=1S/C12H19N3O3S/c1-14-19(17,18)11-6-9(13)2-3-10(11)15-7-12(8-16)4-5-12/h2-3,6,14-16H,4-5,7-8,13H2,1H3
InChIKeyKSWDJDQGHLZPHK-UHFFFAOYSA-N
XLogP0.36
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
CID 115358022
5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide
CID 103287162
5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 103287459
5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286589
5-amino-2-[(4-fluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286616
5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide
CID 103287354
5-amino-2-hydroxy-N-methylbenzenesulfonamide
CID 75525559
5-amino-N-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]benzenesulfonamide
CID 103287383
5-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-methylbenzenesulfonamide
CID 115358015
5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide
CID 106290279
5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide
CID 103286994

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide (CID 103287233) is 5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1NCC1(CO)CC1.
What is the InChIKey of 5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide?
The InChIKey is KSWDJDQGHLZPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-14-19(17,18)11-6-9(13)2-3-10(11)15-7-12(8-16)4-5-12/h2-3,6,14-16H,4-5,7-8,13H2,1H3.
What are the key properties of 5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide?
5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.36, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 103287233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).