1-carbamothioyl-N-cyclopentyl-N-ethylcyclopropane-1-carboxamide

C12H20N2OS — CID 80589688

IUPAC1-carbamothioyl-N-cyclopentyl-N-ethylcyclopropane-1-carboxamide
SMILESCCN(C(=O)C1(C(N)=S)CC1)C1CCCC1
InChIInChI=1S/C12H20N2OS/c1-2-14(9-5-3-4-6-9)11(15)12(7-8-12)10(13)16/h9H,2-8H2,1H3,(H2,13,16)
InChIKeyBSYSNRZKQLBTIK-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.84
Rot. Bonds4

About 1-carbamothioyl-N-cyclopentyl-N-ethylcyclopropane-1-carboxamide

1-carbamothioyl-N-cyclopentyl-N-ethylcyclopropane-1-carboxamide (PubChem CID 80589688) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-carbamothioyl-N-cyclopentyl-N-ethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-cyclopentyl-N-ethylcyclopropane-1-carboxamide
PubChem CID80589688
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-carbamothioyl-N-cyclopentyl-N-ethylcyclopropane-1-carboxamide
SMILESCCN(C(=O)C1(C(N)=S)CC1)C1CCCC1
InChIInChI=1S/C12H20N2OS/c1-2-14(9-5-3-4-6-9)11(15)12(7-8-12)10(13)16/h9H,2-8H2,1H3,(H2,13,16)
InChIKeyBSYSNRZKQLBTIK-UHFFFAOYSA-N
XLogP1.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-carbamothioyl-N-cyclopentyl-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 80591161
1-carbamothioyl-N-(cyclobutylmethyl)-N-ethylcyclopropane-1-carboxamide
CID 107398769
1-cyclopentyl-1-ethylthiourea
CID 43541105
1-carbamothioyl-N-cyclopropyl-N-(3-methylbutyl)cycloheptane-1-carboxamide
CID 78977160
N-cyclohexyl-N-ethyl-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80591352
N-cyclopropyl-N-ethyl-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76919861
1-carbamothioyl-N-cyclopentyl-N,3-dimethylcyclobutane-1-carboxamide
CID 80593126
2-amino-N-cyclohexyl-N-ethyl-1-methylcyclopentane-1-carboxamide
CID 82765419
N-cyclohexyl-N-ethylcyclobutanecarboxamide
CID 78833458
1-(aminomethyl)-N-cyclohexyl-N-ethyl-4-methylcyclohexane-1-carboxamide
CID 115441343
1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide
CID 102993363
1-cyano-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide
CID 80599072

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-cyclopentyl-N-ethylcyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-cyclopentyl-N-ethylcyclopropane-1-carboxamide (CID 80589688) is 1-carbamothioyl-N-cyclopentyl-N-ethylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-cyclopentyl-N-ethylcyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-cyclopentyl-N-ethylcyclopropane-1-carboxamide is CCN(C(=O)C1(C(N)=S)CC1)C1CCCC1.
What is the InChIKey of 1-carbamothioyl-N-cyclopentyl-N-ethylcyclopropane-1-carboxamide?
The InChIKey is BSYSNRZKQLBTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-14(9-5-3-4-6-9)11(15)12(7-8-12)10(13)16/h9H,2-8H2,1H3,(H2,13,16).
What are the key properties of 1-carbamothioyl-N-cyclopentyl-N-ethylcyclopropane-1-carboxamide?
1-carbamothioyl-N-cyclopentyl-N-ethylcyclopropane-1-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-cyclopentyl-N-ethylcyclopropane-1-carboxamide is sourced from PubChem (CID 80589688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).