N-(1-cyanocyclobutyl)-N-methyl-4-methylsulfinylbenzamide

C14H16N2O2S — CID 47445665

IUPACN-(1-cyanocyclobutyl)-N-methyl-4-methylsulfinylbenzamide
SMILESCN(C(=O)c1ccc(S(C)=O)cc1)C1(C#N)CCC1
InChIInChI=1S/C14H16N2O2S/c1-16(14(10-15)8-3-9-14)13(17)11-4-6-12(7-5-11)19(2)18/h4-7H,3,8-9H2,1-2H3
InChIKeyPITQDCPMJWKOKX-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.94
Rot. Bonds3

About N-(1-cyanocyclobutyl)-N-methyl-4-methylsulfinylbenzamide

N-(1-cyanocyclobutyl)-N-methyl-4-methylsulfinylbenzamide (PubChem CID 47445665) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(1-cyanocyclobutyl)-N-methyl-4-methylsulfinylbenzamide.

Molecular Properties

Compound NameN-(1-cyanocyclobutyl)-N-methyl-4-methylsulfinylbenzamide
PubChem CID47445665
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(1-cyanocyclobutyl)-N-methyl-4-methylsulfinylbenzamide
SMILESCN(C(=O)c1ccc(S(C)=O)cc1)C1(C#N)CCC1
InChIInChI=1S/C14H16N2O2S/c1-16(14(10-15)8-3-9-14)13(17)11-4-6-12(7-5-11)19(2)18/h4-7H,3,8-9H2,1-2H3
InChIKeyPITQDCPMJWKOKX-UHFFFAOYSA-N
XLogP1.94
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82130674
N-(1-cyanocyclobutyl)-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 47793802
3-bromo-N-(1-cyanocyclohexyl)-4-fluoro-N-methylbenzamide
CID 107951776
2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide
CID 61215479
N-(1-cyanocyclobutyl)-3-hydroxy-N,5-dimethylpyridine-2-carboxamide
CID 154752802
N-(1-cyanocyclobutyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 47793828
N-(1-cyanocyclobutyl)-2-[2-(dimethylamino)ethoxy]-N-methylpyridine-4-carboxamide
CID 84592772
N-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide
CID 54088114
4-chloro-N-(1-ethynylcyclohexyl)-N-methylbenzamide
CID 71391064
N-(1-cyanocyclopentyl)-N-methylacetamide
CID 82125090
N-(1-cyanocyclobutyl)-N,1-dimethylindole-2-carboxamide
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N-(1-cyanocyclobutyl)-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 47793680

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclobutyl)-N-methyl-4-methylsulfinylbenzamide?
The IUPAC name of N-(1-cyanocyclobutyl)-N-methyl-4-methylsulfinylbenzamide (CID 47445665) is N-(1-cyanocyclobutyl)-N-methyl-4-methylsulfinylbenzamide.
What is the SMILES notation for N-(1-cyanocyclobutyl)-N-methyl-4-methylsulfinylbenzamide?
The canonical SMILES for N-(1-cyanocyclobutyl)-N-methyl-4-methylsulfinylbenzamide is CN(C(=O)c1ccc(S(C)=O)cc1)C1(C#N)CCC1.
What is the InChIKey of N-(1-cyanocyclobutyl)-N-methyl-4-methylsulfinylbenzamide?
The InChIKey is PITQDCPMJWKOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-16(14(10-15)8-3-9-14)13(17)11-4-6-12(7-5-11)19(2)18/h4-7H,3,8-9H2,1-2H3.
What are the key properties of N-(1-cyanocyclobutyl)-N-methyl-4-methylsulfinylbenzamide?
N-(1-cyanocyclobutyl)-N-methyl-4-methylsulfinylbenzamide has a molecular weight of 276.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclobutyl)-N-methyl-4-methylsulfinylbenzamide is sourced from PubChem (CID 47445665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).