5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide

C12H19N3O3S — CID 103287162

IUPAC5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NCC1CC(O)C1
InChIInChI=1S/C12H19N3O3S/c1-14-19(17,18)12-6-9(13)2-3-11(12)15-7-8-4-10(16)5-8/h2-3,6,8,10,14-16H,4-5,7,13H2,1H3
InChIKeyBBSJSXUNZYTOTD-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.36
Rot. Bonds5

About 5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide

5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 103287162) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide
PubChem CID103287162
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NCC1CC(O)C1
InChIInChI=1S/C12H19N3O3S/c1-14-19(17,18)12-6-9(13)2-3-11(12)15-7-8-4-10(16)5-8/h2-3,6,8,10,14-16H,4-5,7,13H2,1H3
InChIKeyBBSJSXUNZYTOTD-UHFFFAOYSA-N
XLogP0.36
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
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-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide
CID 103287354
3-[(4-amino-2-iodoanilino)methyl]cyclobutan-1-ol
CID 66094201
5-amino-3-[(3-hydroxycyclobutyl)methylamino]-2-methylbenzenesulfonamide
CID 79904586
5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide
CID 103286939
5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide
CID 103287233
5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide
CID 103286994
5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 103287459
5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 103287126
5-amino-N-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]benzenesulfonamide
CID 103287383
5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide
CID 106290279
5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286589

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide (CID 103287162) is 5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1NCC1CC(O)C1.
What is the InChIKey of 5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is BBSJSXUNZYTOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-14-19(17,18)12-6-9(13)2-3-11(12)15-7-8-4-10(16)5-8/h2-3,6,8,10,14-16H,4-5,7,13H2,1H3.
What are the key properties of 5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide?
5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.36, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 103287162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).