1-cyano-N-methyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide

C10H16N2OS — CID 112698091

IUPAC1-cyano-N-methyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide
SMILESCSCCN(C)C(=O)C1(C#N)CCC1
InChIInChI=1S/C10H16N2OS/c1-12(6-7-14-2)9(13)10(8-11)4-3-5-10/h3-7H2,1-2H3
InChIKeyBVRLVTNNNCDSDN-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.50
Rot. Bonds4

About 1-cyano-N-methyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide

1-cyano-N-methyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide (PubChem CID 112698091) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide
PubChem CID112698091
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-cyano-N-methyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide
SMILESCSCCN(C)C(=O)C1(C#N)CCC1
InChIInChI=1S/C10H16N2OS/c1-12(6-7-14-2)9(13)10(8-11)4-3-5-10/h3-7H2,1-2H3
InChIKeyBVRLVTNNNCDSDN-UHFFFAOYSA-N
XLogP1.50
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-methyl-N-propylcycloheptane-1-carboxamide
CID 55207638
1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide
CID 111758296
1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide
CID 80598123
1-cyano-N-(2-methoxyethyl)-N-methylcyclohexane-1-carboxamide
CID 61461914
1-cyano-N-(5-hydroxypentyl)-N-methylcycloheptane-1-carboxamide
CID 107199530
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide
CID 105417788
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide
CID 105417802
1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide
CID 115183403
1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 115759979
1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 115183394
1-cyano-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutane-1-carboxamide
CID 115183405
1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide
CID 80593205

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide (CID 112698091) is 1-cyano-N-methyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide is CSCCN(C)C(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-methyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide?
The InChIKey is BVRLVTNNNCDSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-12(6-7-14-2)9(13)10(8-11)4-3-5-10/h3-7H2,1-2H3.
What are the key properties of 1-cyano-N-methyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide?
1-cyano-N-methyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide has a molecular weight of 212.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 112698091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).