N-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide

C12H15N3O2S — CID 106998868

IUPACN-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)NC1CC(N)C1
InChIInChI=1S/C12H15N3O2S/c1-8-4-9(7-13)2-3-12(8)18(16,17)15-11-5-10(14)6-11/h2-4,10-11,15H,5-6,14H2,1H3
InChIKeyNGWMYKYKAUNHPF-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.63
Rot. Bonds3

About N-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide

N-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide (PubChem CID 106998868) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide
PubChem CID106998868
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)NC1CC(N)C1
InChIInChI=1S/C12H15N3O2S/c1-8-4-9(7-13)2-3-12(8)18(16,17)15-11-5-10(14)6-11/h2-4,10-11,15H,5-6,14H2,1H3
InChIKeyNGWMYKYKAUNHPF-UHFFFAOYSA-N
XLogP0.63
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide
CID 106998698
4-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbenzenesulfonamide
CID 106997288
4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide
CID 103757199
cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321633
3-[(4-cyano-2-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 138045411
4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724642
3-[(3-aminocyclobutyl)amino]-4-methylbenzonitrile
CID 80562351
N-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide
CID 103829061
4-[(4-cyano-2-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 106996515
4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 103829091
5-cyano-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685043
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-3-methylbenzonitrile
CID 103828847

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide (CID 106998868) is N-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide is Cc1cc(C#N)ccc1S(=O)(=O)NC1CC(N)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide?
The InChIKey is NGWMYKYKAUNHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8-4-9(7-13)2-3-12(8)18(16,17)15-11-5-10(14)6-11/h2-4,10-11,15H,5-6,14H2,1H3.
What are the key properties of N-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide?
N-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide is sourced from PubChem (CID 106998868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).