1-carbamothioyl-N-methyl-N-(2-methyloxolan-3-yl)cyclopentane-1-carboxamide

C13H22N2O2S — CID 82737876

IUPAC1-carbamothioyl-N-methyl-N-(2-methyloxolan-3-yl)cyclopentane-1-carboxamide
SMILESCC1OCCC1N(C)C(=O)C1(C(N)=S)CCCC1
InChIInChI=1S/C13H22N2O2S/c1-9-10(5-8-17-9)15(2)12(16)13(11(14)18)6-3-4-7-13/h9-10H,3-8H2,1-2H3,(H2,14,18)
InChIKeyIDRIVNRYBCKXLR-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.47
Rot. Bonds3

About 1-carbamothioyl-N-methyl-N-(2-methyloxolan-3-yl)cyclopentane-1-carboxamide

1-carbamothioyl-N-methyl-N-(2-methyloxolan-3-yl)cyclopentane-1-carboxamide (PubChem CID 82737876) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-carbamothioyl-N-methyl-N-(2-methyloxolan-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-methyl-N-(2-methyloxolan-3-yl)cyclopentane-1-carboxamide
PubChem CID82737876
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name1-carbamothioyl-N-methyl-N-(2-methyloxolan-3-yl)cyclopentane-1-carboxamide
SMILESCC1OCCC1N(C)C(=O)C1(C(N)=S)CCCC1
InChIInChI=1S/C13H22N2O2S/c1-9-10(5-8-17-9)15(2)12(16)13(11(14)18)6-3-4-7-13/h9-10H,3-8H2,1-2H3,(H2,14,18)
InChIKeyIDRIVNRYBCKXLR-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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Related Compounds

1-carbamothioyl-N-cyclopentyl-N,3-dimethylcyclobutane-1-carboxamide
CID 80593126
4-carbamothioyl-N-methyl-N-(oxolan-3-yl)oxane-4-carboxamide
CID 82737877
methyl N-methyl-N-(2-methyloxolan-3-yl)carbamate
CID 116657138
1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 55037680
3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82749509
N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
CID 107033647
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide
CID 82733963
2-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 82742275
3-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)thiourea
CID 116509678
3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82748784
3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea
CID 116657140
1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 80590245

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-methyl-N-(2-methyloxolan-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-methyl-N-(2-methyloxolan-3-yl)cyclopentane-1-carboxamide (CID 82737876) is 1-carbamothioyl-N-methyl-N-(2-methyloxolan-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-methyl-N-(2-methyloxolan-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-methyl-N-(2-methyloxolan-3-yl)cyclopentane-1-carboxamide is CC1OCCC1N(C)C(=O)C1(C(N)=S)CCCC1.
What is the InChIKey of 1-carbamothioyl-N-methyl-N-(2-methyloxolan-3-yl)cyclopentane-1-carboxamide?
The InChIKey is IDRIVNRYBCKXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9-10(5-8-17-9)15(2)12(16)13(11(14)18)6-3-4-7-13/h9-10H,3-8H2,1-2H3,(H2,14,18).
What are the key properties of 1-carbamothioyl-N-methyl-N-(2-methyloxolan-3-yl)cyclopentane-1-carboxamide?
1-carbamothioyl-N-methyl-N-(2-methyloxolan-3-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-(2-methyloxolan-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 82737876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).