2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide

C14H24N4O2S — CID 105413934

IUPAC2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC2(N(C)C)CCC2)cc1N
InChIInChI=1S/C14H24N4O2S/c1-16-21(19,20)13-6-5-11(9-12(13)15)17-10-14(18(2)3)7-4-8-14/h5-6,9,16-17H,4,7-8,10,15H2,1-3H3
InChIKeyKIJYNHXZNLVGTO-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.07
Rot. Bonds6

About 2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide

2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide (PubChem CID 105413934) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide
PubChem CID105413934
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC2(N(C)C)CCC2)cc1N
InChIInChI=1S/C14H24N4O2S/c1-16-21(19,20)13-6-5-11(9-12(13)15)17-10-14(18(2)3)7-4-8-14/h5-6,9,16-17H,4,7-8,10,15H2,1-3H3
InChIKeyKIJYNHXZNLVGTO-UHFFFAOYSA-N
XLogP1.07
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.07
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

2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 83107893
2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 105413667
2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 80646367
2-amino-N-methyl-4-(2-sulfamoylethylamino)benzenesulfonamide
CID 80645656
2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 80645934
2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide
CID 80646229
2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 80646286
2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide
CID 106007200
2-amino-N-methyl-4-(octylamino)benzenesulfonamide
CID 115566200
2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 80646231
2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108494
2-amino-N-methyl-4-[2-(oxolan-2-yl)ethylamino]benzenesulfonamide
CID 80646014

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide (CID 105413934) is 2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NCC2(N(C)C)CCC2)cc1N.
What is the InChIKey of 2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide?
The InChIKey is KIJYNHXZNLVGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-16-21(19,20)13-6-5-11(9-12(13)15)17-10-14(18(2)3)7-4-8-14/h5-6,9,16-17H,4,7-8,10,15H2,1-3H3.
What are the key properties of 2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide?
2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 105413934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).