1-carbamothioyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide

C14H25N3OS — CID 63210907

IUPAC1-carbamothioyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
SMILESCN(CCN1CCCC1)C(=O)C1(C(N)=S)CCCC1
InChIInChI=1S/C14H25N3OS/c1-16(10-11-17-8-4-5-9-17)13(18)14(12(15)19)6-2-3-7-14/h2-11H2,1H3,(H2,15,19)
InChIKeyUIARZRMLOXEPJP-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.39
Rot. Bonds5

About 1-carbamothioyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide

1-carbamothioyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide (PubChem CID 63210907) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-carbamothioyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
PubChem CID63210907
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name1-carbamothioyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
SMILESCN(CCN1CCCC1)C(=O)C1(C(N)=S)CCCC1
InChIInChI=1S/C14H25N3OS/c1-16(10-11-17-8-4-5-9-17)13(18)14(12(15)19)6-2-3-7-14/h2-11H2,1H3,(H2,15,19)
InChIKeyUIARZRMLOXEPJP-UHFFFAOYSA-N
XLogP1.39
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.39
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-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
CID 80594203
1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide
CID 105418040
ethyl 2-[(1-carbamothioylcyclobutanecarbonyl)-methylamino]acetate
CID 80589048
3-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 55162835
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,N-bis(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 55037634
1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 56509989
1-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 63207757
N-methyl-2-[1-(methylamino)cyclohexyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 65242569
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanamide
CID 63207759
1-carbamothioyl-N-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 80591313

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide (CID 63210907) is 1-carbamothioyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide is CN(CCN1CCCC1)C(=O)C1(C(N)=S)CCCC1.
What is the InChIKey of 1-carbamothioyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide?
The InChIKey is UIARZRMLOXEPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-16(10-11-17-8-4-5-9-17)13(18)14(12(15)19)6-2-3-7-14/h2-11H2,1H3,(H2,15,19).
What are the key properties of 1-carbamothioyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide?
1-carbamothioyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide has a molecular weight of 283.44 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 63210907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).