1-carbamothioyl-N-(2-ethylsulfanylcyclopentyl)cyclopropane-1-carboxamide

C12H20N2OS2 — CID 114121583

IUPAC1-carbamothioyl-N-(2-ethylsulfanylcyclopentyl)cyclopropane-1-carboxamide
SMILESCCSC1CCCC1NC(=O)C1(C(N)=S)CC1
InChIInChI=1S/C12H20N2OS2/c1-2-17-9-5-3-4-8(9)14-11(15)12(6-7-12)10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,15)
InChIKeyLCLXXDYEVOJRGP-UHFFFAOYSA-N
MW272.44 g/mol
LogP1.84
Rot. Bonds5

About 1-carbamothioyl-N-(2-ethylsulfanylcyclopentyl)cyclopropane-1-carboxamide

1-carbamothioyl-N-(2-ethylsulfanylcyclopentyl)cyclopropane-1-carboxamide (PubChem CID 114121583) has the molecular formula C12H20N2OS2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-carbamothioyl-N-(2-ethylsulfanylcyclopentyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(2-ethylsulfanylcyclopentyl)cyclopropane-1-carboxamide
PubChem CID114121583
Molecular FormulaC12H20N2OS2
Molecular Weight272.44 g/mol
Exact Mass272.10
IUPAC Name1-carbamothioyl-N-(2-ethylsulfanylcyclopentyl)cyclopropane-1-carboxamide
SMILESCCSC1CCCC1NC(=O)C1(C(N)=S)CC1
InChIInChI=1S/C12H20N2OS2/c1-2-17-9-5-3-4-8(9)14-11(15)12(6-7-12)10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,15)
InChIKeyLCLXXDYEVOJRGP-UHFFFAOYSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylsulfanylcyclopentyl)-4-methylpiperidine-4-carboxamide
CID 103840385
(2R)-2-amino-N-(2-ethylsulfanylcyclopentyl)butanamide
CID 104878228
1-cyclopropyl-3-(2-ethylsulfanylcyclopentyl)thiourea
CID 103727711
2-amino-N-(2-ethylsulfanylcyclohexyl)acetamide
CID 119337962
3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide
CID 103581059
2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride
CID 119343710
2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337965
(2R)-2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337969
1-carbamothioyl-N-(4,4-dimethylcyclohexyl)cyclobutane-1-carboxamide
CID 80591550
ethyl 4-[(2-ethylsulfanylcyclopentyl)amino]-4-oxobutanoate
CID 113249263
2-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylpentanamide
CID 103812914
1-carbamothioyl-N-(2,3-dimethylcyclopentyl)cyclohexane-1-carboxamide
CID 64910427

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(2-ethylsulfanylcyclopentyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(2-ethylsulfanylcyclopentyl)cyclopropane-1-carboxamide (CID 114121583) is 1-carbamothioyl-N-(2-ethylsulfanylcyclopentyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(2-ethylsulfanylcyclopentyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(2-ethylsulfanylcyclopentyl)cyclopropane-1-carboxamide is CCSC1CCCC1NC(=O)C1(C(N)=S)CC1.
What is the InChIKey of 1-carbamothioyl-N-(2-ethylsulfanylcyclopentyl)cyclopropane-1-carboxamide?
The InChIKey is LCLXXDYEVOJRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS2/c1-2-17-9-5-3-4-8(9)14-11(15)12(6-7-12)10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 1-carbamothioyl-N-(2-ethylsulfanylcyclopentyl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-(2-ethylsulfanylcyclopentyl)cyclopropane-1-carboxamide has a molecular weight of 272.44 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(2-ethylsulfanylcyclopentyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 114121583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).