1-carbamothioyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide

C11H18N2O3S — CID 104761733

IUPAC1-carbamothioyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCOC1(CNC(=O)C2(C(N)=S)CC2)CCOC1
InChIInChI=1S/C11H18N2O3S/c1-15-10(4-5-16-7-10)6-13-9(14)11(2-3-11)8(12)17/h2-7H2,1H3,(H2,12,17)(H,13,14)
InChIKeyBWWYKKPCKWTMOO-UHFFFAOYSA-N
MW258.34 g/mol
LogP-0.03
Rot. Bonds5

About 1-carbamothioyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide

1-carbamothioyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 104761733) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-carbamothioyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID104761733
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name1-carbamothioyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCOC1(CNC(=O)C2(C(N)=S)CC2)CCOC1
InChIInChI=1S/C11H18N2O3S/c1-15-10(4-5-16-7-10)6-13-9(14)11(2-3-11)8(12)17/h2-7H2,1H3,(H2,12,17)(H,13,14)
InChIKeyBWWYKKPCKWTMOO-UHFFFAOYSA-N
XLogP-0.03
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyethyl)-1-carbamothioylcyclopropane-1-carboxamide
CID 80589664
1-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]cyclopropane-1-carboxamide
CID 80589830
1-(3,4-Dimethoxypyrrolidine-1-carbonyl)cyclopropane-1-carbothioamide
CID 103533597
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104759875
2-(aminomethyl)-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104759878
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104759879
2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutanamide
CID 104759883
2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104759884
1-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide
CID 104759890
N-ethyl-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide
CID 104760875
N-[(3-methoxyoxolan-3-yl)methyl]-3-(methylamino)propanamide
CID 104761438
3-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104761552

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide (CID 104761733) is 1-carbamothioyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide is COC1(CNC(=O)C2(C(N)=S)CC2)CCOC1.
What is the InChIKey of 1-carbamothioyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is BWWYKKPCKWTMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-15-10(4-5-16-7-10)6-13-9(14)11(2-3-11)8(12)17/h2-7H2,1H3,(H2,12,17)(H,13,14).
What are the key properties of 1-carbamothioyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide?
1-carbamothioyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 258.34 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[(3-methoxyoxolan-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 104761733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).