1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide

C15H27N3OS — CID 105418040

IUPAC1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)C1(C(N)=S)CCCC1
InChIInChI=1S/C15H27N3OS/c1-17(2)14(7-6-8-14)11-18(3)13(19)15(12(16)20)9-4-5-10-15/h4-11H2,1-3H3,(H2,16,20)
InChIKeyVSVSNIFJZGTPHO-UHFFFAOYSA-N
MW297.47 g/mol
LogP1.78
Rot. Bonds5

About 1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide

1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 105418040) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide
PubChem CID105418040
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)C1(C(N)=S)CCCC1
InChIInChI=1S/C15H27N3OS/c1-17(2)14(7-6-8-14)11-18(3)13(19)15(12(16)20)9-4-5-10-15/h4-11H2,1-3H3,(H2,16,20)
InChIKeyVSVSNIFJZGTPHO-UHFFFAOYSA-N
XLogP1.78
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 51.78
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

ethyl 2-[(1-carbamothioylcyclobutanecarbonyl)-methylamino]acetate
CID 80589048
4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
CID 105418027
1-carbamothioyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 63210907
1-carbamothioyl-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclopentane-1-carboxamide
CID 55037771
1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 80589184
1-carbamothioyl-N-[(2-chlorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 80590057
1-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 80589290
1-carbamothioyl-N-methyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 80589192
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide
CID 105417788
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide
CID 105417802
1-carbamothioyl-N-[(3-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 80592624
1-carbamothioyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cycloheptane-1-carboxamide
CID 64519814

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide (CID 105418040) is 1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide is CN(CC1(N(C)C)CCC1)C(=O)C1(C(N)=S)CCCC1.
What is the InChIKey of 1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is VSVSNIFJZGTPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-17(2)14(7-6-8-14)11-18(3)13(19)15(12(16)20)9-4-5-10-15/h4-11H2,1-3H3,(H2,16,20).
What are the key properties of 1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide?
1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 297.47 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 105418040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).