2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide

C14H20N4O2S — CID 105413667

IUPAC2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2ccc(C#N)cc2N)CCC1
InChIInChI=1S/C14H20N4O2S/c1-18(2)14(6-3-7-14)10-17-21(19,20)13-5-4-11(9-15)8-12(13)16/h4-5,8,17H,3,6-7,10,16H2,1-2H3
InChIKeyHVTASXSHGQXUGM-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.90
Rot. Bonds5

About 2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide

2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide (PubChem CID 105413667) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
PubChem CID105413667
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2ccc(C#N)cc2N)CCC1
InChIInChI=1S/C14H20N4O2S/c1-18(2)14(6-3-7-14)10-17-21(19,20)13-5-4-11(9-15)8-12(13)16/h4-5,8,17H,3,6-7,10,16H2,1-2H3
InChIKeyHVTASXSHGQXUGM-UHFFFAOYSA-N
XLogP0.90
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.90
H-Bond Donors ≤ 52
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-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83107309
2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108494
2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide
CID 105413934
2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 64899773
2-amino-4-cyano-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115357947
2-amino-4-cyano-N-octylbenzenesulfonamide
CID 115566069
4-(aminomethyl)-2-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 106087070
N-[(1-aminocycloheptyl)methyl]-4-cyano-2-methylbenzenesulfonamide
CID 119998644
5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide
CID 105413622
5-amino-2-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108622
2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
CID 102694330

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide (CID 105413667) is 2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide is CN(C)C1(CNS(=O)(=O)c2ccc(C#N)cc2N)CCC1.
What is the InChIKey of 2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide?
The InChIKey is HVTASXSHGQXUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-18(2)14(6-3-7-14)10-17-21(19,20)13-5-4-11(9-15)8-12(13)16/h4-5,8,17H,3,6-7,10,16H2,1-2H3.
What are the key properties of 2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide?
2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide is sourced from PubChem (CID 105413667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).