1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide

C13H22N2O2S — CID 80590245

IUPAC1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
SMILESCCN(CC1CCCO1)C(=O)C1(C(N)=S)CCC1
InChIInChI=1S/C13H22N2O2S/c1-2-15(9-10-5-3-8-17-10)12(16)13(11(14)18)6-4-7-13/h10H,2-9H2,1H3,(H2,14,18)
InChIKeySLPAPFPSHSDWJF-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.47
Rot. Bonds5

About 1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide

1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 80590245) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
PubChem CID80590245
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
SMILESCCN(CC1CCCO1)C(=O)C1(C(N)=S)CCC1
InChIInChI=1S/C13H22N2O2S/c1-2-15(9-10-5-3-8-17-10)12(16)13(11(14)18)6-4-7-13/h10H,2-9H2,1H3,(H2,14,18)
InChIKeySLPAPFPSHSDWJF-UHFFFAOYSA-N
XLogP1.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-ethyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 55037680
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119750528
1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 80598016
2-(1-aminocyclobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide
CID 79854728
4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120927937
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320
N-ethyl-2-(1-hydroxycyclopentyl)-N-(oxolan-2-ylmethyl)acetamide
CID 111430742
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(oxolan-2-yl)acetamide
CID 65155617
N-ethyl-N-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141891
N-ethyl-2-(ethylamino)-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 62835569
3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 64677009
N-ethyl-2-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62846746

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide (CID 80590245) is 1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide is CCN(CC1CCCO1)C(=O)C1(C(N)=S)CCC1.
What is the InChIKey of 1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is SLPAPFPSHSDWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-2-15(9-10-5-3-8-17-10)12(16)13(11(14)18)6-4-7-13/h10H,2-9H2,1H3,(H2,14,18).
What are the key properties of 1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide?
1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 270.40 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80590245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).