1-cyano-3-methyl-N-(thiolan-3-yl)cyclobutane-1-carboxamide

C11H16N2OS — CID 103755604

IUPAC1-cyano-3-methyl-N-(thiolan-3-yl)cyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NC2CCSC2)C1
InChIInChI=1S/C11H16N2OS/c1-8-4-11(5-8,7-12)10(14)13-9-2-3-15-6-9/h8-9H,2-6H2,1H3,(H,13,14)
InChIKeyKFFOGQLWNKFILS-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.55
Rot. Bonds2

About 1-cyano-3-methyl-N-(thiolan-3-yl)cyclobutane-1-carboxamide

1-cyano-3-methyl-N-(thiolan-3-yl)cyclobutane-1-carboxamide (PubChem CID 103755604) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-cyano-3-methyl-N-(thiolan-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-3-methyl-N-(thiolan-3-yl)cyclobutane-1-carboxamide
PubChem CID103755604
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-cyano-3-methyl-N-(thiolan-3-yl)cyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NC2CCSC2)C1
InChIInChI=1S/C11H16N2OS/c1-8-4-11(5-8,7-12)10(14)13-9-2-3-15-6-9/h8-9H,2-6H2,1H3,(H,13,14)
InChIKeyKFFOGQLWNKFILS-UHFFFAOYSA-N
XLogP1.55
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-methyl-N-(thiolan-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-3-methyl-N-(thiolan-3-yl)cyclobutane-1-carboxamide (CID 103755604) is 1-cyano-3-methyl-N-(thiolan-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-3-methyl-N-(thiolan-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-3-methyl-N-(thiolan-3-yl)cyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)NC2CCSC2)C1.
What is the InChIKey of 1-cyano-3-methyl-N-(thiolan-3-yl)cyclobutane-1-carboxamide?
The InChIKey is KFFOGQLWNKFILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-4-11(5-8,7-12)10(14)13-9-2-3-15-6-9/h8-9H,2-6H2,1H3,(H,13,14).
What are the key properties of 1-cyano-3-methyl-N-(thiolan-3-yl)cyclobutane-1-carboxamide?
1-cyano-3-methyl-N-(thiolan-3-yl)cyclobutane-1-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-methyl-N-(thiolan-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 103755604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).