1-carbamothioyl-N-methyl-N-(oxan-4-yl)cyclopentane-1-carboxamide

C13H22N2O2S — CID 55208379

IUPAC1-carbamothioyl-N-methyl-N-(oxan-4-yl)cyclopentane-1-carboxamide
SMILESCN(C(=O)C1(C(N)=S)CCCC1)C1CCOCC1
InChIInChI=1S/C13H22N2O2S/c1-15(10-4-8-17-9-5-10)12(16)13(11(14)18)6-2-3-7-13/h10H,2-9H2,1H3,(H2,14,18)
InChIKeyVWAGEPIVQGQIFP-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.47
Rot. Bonds3

About 1-carbamothioyl-N-methyl-N-(oxan-4-yl)cyclopentane-1-carboxamide

1-carbamothioyl-N-methyl-N-(oxan-4-yl)cyclopentane-1-carboxamide (PubChem CID 55208379) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-carbamothioyl-N-methyl-N-(oxan-4-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-methyl-N-(oxan-4-yl)cyclopentane-1-carboxamide
PubChem CID55208379
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name1-carbamothioyl-N-methyl-N-(oxan-4-yl)cyclopentane-1-carboxamide
SMILESCN(C(=O)C1(C(N)=S)CCCC1)C1CCOCC1
InChIInChI=1S/C13H22N2O2S/c1-15(10-4-8-17-9-5-10)12(16)13(11(14)18)6-2-3-7-13/h10H,2-9H2,1H3,(H2,14,18)
InChIKeyVWAGEPIVQGQIFP-UHFFFAOYSA-N
XLogP1.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-methyl-N-(oxan-4-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-methyl-N-(oxan-4-yl)cyclopentane-1-carboxamide (CID 55208379) is 1-carbamothioyl-N-methyl-N-(oxan-4-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-methyl-N-(oxan-4-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-methyl-N-(oxan-4-yl)cyclopentane-1-carboxamide is CN(C(=O)C1(C(N)=S)CCCC1)C1CCOCC1.
What is the InChIKey of 1-carbamothioyl-N-methyl-N-(oxan-4-yl)cyclopentane-1-carboxamide?
The InChIKey is VWAGEPIVQGQIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-15(10-4-8-17-9-5-10)12(16)13(11(14)18)6-2-3-7-13/h10H,2-9H2,1H3,(H2,14,18).
What are the key properties of 1-carbamothioyl-N-methyl-N-(oxan-4-yl)cyclopentane-1-carboxamide?
1-carbamothioyl-N-methyl-N-(oxan-4-yl)cyclopentane-1-carboxamide has a molecular weight of 270.40 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-methyl-N-(oxan-4-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 55208379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).