1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide

C10H17N3O2S — CID 80589184

IUPAC1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)C1(C(N)=S)CC1
InChIInChI=1S/C10H17N3O2S/c1-12(2)7(14)6-13(3)9(15)10(4-5-10)8(11)16/h4-6H2,1-3H3,(H2,11,16)
InChIKeyPAGFISNVIXDXEX-UHFFFAOYSA-N
MW243.33 g/mol
LogP-0.40
Rot. Bonds4

About 1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide

1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 80589184) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
PubChem CID80589184
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)C1(C(N)=S)CC1
InChIInChI=1S/C10H17N3O2S/c1-12(2)7(14)6-13(3)9(15)10(4-5-10)8(11)16/h4-6H2,1-3H3,(H2,11,16)
InChIKeyPAGFISNVIXDXEX-UHFFFAOYSA-N
XLogP-0.40
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-0.40
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-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide (CID 80589184) is 1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide is CN(C)C(=O)CN(C)C(=O)C1(C(N)=S)CC1.
What is the InChIKey of 1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is PAGFISNVIXDXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-12(2)7(14)6-13(3)9(15)10(4-5-10)8(11)16/h4-6H2,1-3H3,(H2,11,16).
What are the key properties of 1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide?
1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 243.33 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 80589184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).