1-carbamothioyl-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclobutane-1-carboxamide

C15H27N3OS — CID 80588964

IUPAC1-carbamothioyl-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclobutane-1-carboxamide
SMILESCCN1CCC(N(C)C(=O)C2(C(N)=S)CC(C)C2)CC1
InChIInChI=1S/C15H27N3OS/c1-4-18-7-5-12(6-8-18)17(3)14(19)15(13(16)20)9-11(2)10-15/h11-12H,4-10H2,1-3H3,(H2,16,20)
InChIKeyADORPFWNVKQNRF-UHFFFAOYSA-N
MW297.47 g/mol
LogP1.63
Rot. Bonds4

About 1-carbamothioyl-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclobutane-1-carboxamide

1-carbamothioyl-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclobutane-1-carboxamide (PubChem CID 80588964) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 1-carbamothioyl-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclobutane-1-carboxamide
PubChem CID80588964
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name1-carbamothioyl-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclobutane-1-carboxamide
SMILESCCN1CCC(N(C)C(=O)C2(C(N)=S)CC(C)C2)CC1
InChIInChI=1S/C15H27N3OS/c1-4-18-7-5-12(6-8-18)17(3)14(19)15(13(16)20)9-11(2)10-15/h11-12H,4-10H2,1-3H3,(H2,16,20)
InChIKeyADORPFWNVKQNRF-UHFFFAOYSA-N
XLogP1.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-carbamothioyl-N-cyclopentyl-N,3-dimethylcyclobutane-1-carboxamide
CID 80593126
1-amino-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclohexane-1-carboxamide
CID 64551045
1-carbamothioyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylcyclobutane-1-carboxamide
CID 80591070
1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 80590609
1-carbamothioyl-N-(cyclopropylmethyl)-N-ethyl-3-methylcyclobutane-1-carboxamide
CID 80590391
ethyl 2-[(1-carbamothioyl-3-methylcyclobutanecarbonyl)-cyclopropylamino]acetate
CID 80589737
1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-methylcyclobutane-1-carboxamide
CID 80589711
2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
CID 64868594
2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
CID 77054011
N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 60724468
1-carbamothioyl-N,3-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide
CID 112659640
1-carbamothioyl-N-(1-methoxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide
CID 80589884

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclobutane-1-carboxamide (CID 80588964) is 1-carbamothioyl-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclobutane-1-carboxamide is CCN1CCC(N(C)C(=O)C2(C(N)=S)CC(C)C2)CC1.
What is the InChIKey of 1-carbamothioyl-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclobutane-1-carboxamide?
The InChIKey is ADORPFWNVKQNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-4-18-7-5-12(6-8-18)17(3)14(19)15(13(16)20)9-11(2)10-15/h11-12H,4-10H2,1-3H3,(H2,16,20).
What are the key properties of 1-carbamothioyl-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclobutane-1-carboxamide?
1-carbamothioyl-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclobutane-1-carboxamide has a molecular weight of 297.47 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 80588964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).