1-carbamothioyl-N-(cyclobutylmethyl)-N-ethylcyclopropane-1-carboxamide

C12H20N2OS — CID 107398769

IUPAC1-carbamothioyl-N-(cyclobutylmethyl)-N-ethylcyclopropane-1-carboxamide
SMILESCCN(CC1CCC1)C(=O)C1(C(N)=S)CC1
InChIInChI=1S/C12H20N2OS/c1-2-14(8-9-4-3-5-9)11(15)12(6-7-12)10(13)16/h9H,2-8H2,1H3,(H2,13,16)
InChIKeyYDFOAHPIFOBIPF-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.70
Rot. Bonds5

About 1-carbamothioyl-N-(cyclobutylmethyl)-N-ethylcyclopropane-1-carboxamide

1-carbamothioyl-N-(cyclobutylmethyl)-N-ethylcyclopropane-1-carboxamide (PubChem CID 107398769) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-carbamothioyl-N-(cyclobutylmethyl)-N-ethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(cyclobutylmethyl)-N-ethylcyclopropane-1-carboxamide
PubChem CID107398769
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-carbamothioyl-N-(cyclobutylmethyl)-N-ethylcyclopropane-1-carboxamide
SMILESCCN(CC1CCC1)C(=O)C1(C(N)=S)CC1
InChIInChI=1S/C12H20N2OS/c1-2-14(8-9-4-3-5-9)11(15)12(6-7-12)10(13)16/h9H,2-8H2,1H3,(H2,13,16)
InChIKeyYDFOAHPIFOBIPF-UHFFFAOYSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.70
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-(cyclopropylmethyl)-N-ethyl-3-methylcyclobutane-1-carboxamide
CID 80590391
1-carbamothioyl-N-cyclopentyl-N-ethylcyclopropane-1-carboxamide
CID 80589688
1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 80590245
1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 55037680
1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide
CID 102993363
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide
CID 107397896
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-methylpropanamide
CID 107398375
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide
CID 63956979
N-(2-amino-2-oxoethyl)-4-carbamothioyl-N-ethyloxane-4-carboxamide
CID 103102509
3-amino-N-(cyclobutylmethyl)-N-ethylpropanamide
CID 107397900
1-(cyclobutylmethyl)-1-ethyl-3-methylthiourea
CID 107397920
N-(cyclobutylmethyl)-N-ethyl-2,2,3,3,3-pentafluoropropanamide
CID 114038274

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(cyclobutylmethyl)-N-ethylcyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(cyclobutylmethyl)-N-ethylcyclopropane-1-carboxamide (CID 107398769) is 1-carbamothioyl-N-(cyclobutylmethyl)-N-ethylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(cyclobutylmethyl)-N-ethylcyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(cyclobutylmethyl)-N-ethylcyclopropane-1-carboxamide is CCN(CC1CCC1)C(=O)C1(C(N)=S)CC1.
What is the InChIKey of 1-carbamothioyl-N-(cyclobutylmethyl)-N-ethylcyclopropane-1-carboxamide?
The InChIKey is YDFOAHPIFOBIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-14(8-9-4-3-5-9)11(15)12(6-7-12)10(13)16/h9H,2-8H2,1H3,(H2,13,16).
What are the key properties of 1-carbamothioyl-N-(cyclobutylmethyl)-N-ethylcyclopropane-1-carboxamide?
1-carbamothioyl-N-(cyclobutylmethyl)-N-ethylcyclopropane-1-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(cyclobutylmethyl)-N-ethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107398769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).