1-cyano-N-(1,1-dioxothiolan-3-yl)-N-methylcyclobutane-1-carboxamide

C11H16N2O3S — CID 78994709

IUPAC1-cyano-N-(1,1-dioxothiolan-3-yl)-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1(C#N)CCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H16N2O3S/c1-13(9-3-6-17(15,16)7-9)10(14)11(8-12)4-2-5-11/h9H,2-7H2,1H3
InChIKeyNCZOLDOOUHBRLQ-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.33
Rot. Bonds2

About 1-cyano-N-(1,1-dioxothiolan-3-yl)-N-methylcyclobutane-1-carboxamide

1-cyano-N-(1,1-dioxothiolan-3-yl)-N-methylcyclobutane-1-carboxamide (PubChem CID 78994709) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-cyano-N-(1,1-dioxothiolan-3-yl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1,1-dioxothiolan-3-yl)-N-methylcyclobutane-1-carboxamide
PubChem CID78994709
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name1-cyano-N-(1,1-dioxothiolan-3-yl)-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1(C#N)CCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H16N2O3S/c1-13(9-3-6-17(15,16)7-9)10(14)11(8-12)4-2-5-11/h9H,2-7H2,1H3
InChIKeyNCZOLDOOUHBRLQ-UHFFFAOYSA-N
XLogP0.33
TPSA78.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide
CID 115183296
1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
CID 79005497
2-amino-N-(1,1-dioxothiolan-3-yl)-N,1-dimethylcyclopentane-1-carboxamide
CID 82763912
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcarbamothioate
CID 7059128
1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentane-1-carbonitrile
CID 82120574
1-N-cycloheptyl-1-N'-(1,1-dioxothiolan-3-yl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108978034
N-(1,1-dioxothiolan-3-yl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide
CID 80597376
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
1-cyano-N-(4-ethylcyclohexyl)-N-methylcyclopropane-1-carboxamide
CID 80598018
N-(1,1-dioxothiolan-3-yl)-N-methyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198221

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1,1-dioxothiolan-3-yl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1,1-dioxothiolan-3-yl)-N-methylcyclobutane-1-carboxamide (CID 78994709) is 1-cyano-N-(1,1-dioxothiolan-3-yl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1,1-dioxothiolan-3-yl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1,1-dioxothiolan-3-yl)-N-methylcyclobutane-1-carboxamide is CN(C(=O)C1(C#N)CCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-cyano-N-(1,1-dioxothiolan-3-yl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is NCZOLDOOUHBRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-13(9-3-6-17(15,16)7-9)10(14)11(8-12)4-2-5-11/h9H,2-7H2,1H3.
What are the key properties of 1-cyano-N-(1,1-dioxothiolan-3-yl)-N-methylcyclobutane-1-carboxamide?
1-cyano-N-(1,1-dioxothiolan-3-yl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1,1-dioxothiolan-3-yl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 78994709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).