1-carbamothioyl-N-(oxan-4-yl)cyclopentane-1-carboxamide

C12H20N2O2S — CID 55038324

IUPAC1-carbamothioyl-N-(oxan-4-yl)cyclopentane-1-carboxamide
SMILESNC(=S)C1(C(=O)NC2CCOCC2)CCCC1
InChIInChI=1S/C12H20N2O2S/c13-10(17)12(5-1-2-6-12)11(15)14-9-3-7-16-8-4-9/h9H,1-8H2,(H2,13,17)(H,14,15)
InChIKeyZAHJSZAQEJQJTA-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.13
Rot. Bonds3

About 1-carbamothioyl-N-(oxan-4-yl)cyclopentane-1-carboxamide

1-carbamothioyl-N-(oxan-4-yl)cyclopentane-1-carboxamide (PubChem CID 55038324) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-carbamothioyl-N-(oxan-4-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(oxan-4-yl)cyclopentane-1-carboxamide
PubChem CID55038324
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-carbamothioyl-N-(oxan-4-yl)cyclopentane-1-carboxamide
SMILESNC(=S)C1(C(=O)NC2CCOCC2)CCCC1
InChIInChI=1S/C12H20N2O2S/c13-10(17)12(5-1-2-6-12)11(15)14-9-3-7-16-8-4-9/h9H,1-8H2,(H2,13,17)(H,14,15)
InChIKeyZAHJSZAQEJQJTA-UHFFFAOYSA-N
XLogP1.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.13
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

1-carbamothioyl-N-cyclohexylcyclopentane-1-carboxamide
CID 55037676
Ethyl 3-[(1-carbamothioylcyclopentanecarbonyl)amino]propanoate
CID 55037777
1-carbamothioyl-N-(oxan-3-ylmethyl)cyclopentane-1-carboxamide
CID 55038004
N-(2-carbamothioylcyclopentyl)oxane-4-carboxamide
CID 55154041
4-carbamothioyl-N-(2-methylcyclopentyl)oxane-4-carboxamide
CID 55170897
1-carbamothioyl-N-methyl-N-(oxan-4-yl)cyclopentane-1-carboxamide
CID 55208379
1-carbamothioyl-N-(oxan-2-ylmethyl)cyclopentane-1-carboxamide
CID 55209323
4-carbamothioyl-N-[(1-methylcyclopentyl)methyl]oxane-4-carboxamide
CID 55261983
1-(aminomethyl)-N-(oxan-4-yl)cyclopentane-1-carboxamide
CID 61831451
1-(aminomethyl)-N-methyl-N-(oxan-4-yl)cyclopentane-1-carboxamide
CID 61831840
1-carbamothioyl-N-(1,4-dioxan-2-ylmethyl)cyclopentane-1-carboxamide
CID 61835444
1-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 61836058

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(oxan-4-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(oxan-4-yl)cyclopentane-1-carboxamide (CID 55038324) is 1-carbamothioyl-N-(oxan-4-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(oxan-4-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(oxan-4-yl)cyclopentane-1-carboxamide is NC(=S)C1(C(=O)NC2CCOCC2)CCCC1.
What is the InChIKey of 1-carbamothioyl-N-(oxan-4-yl)cyclopentane-1-carboxamide?
The InChIKey is ZAHJSZAQEJQJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c13-10(17)12(5-1-2-6-12)11(15)14-9-3-7-16-8-4-9/h9H,1-8H2,(H2,13,17)(H,14,15).
What are the key properties of 1-carbamothioyl-N-(oxan-4-yl)cyclopentane-1-carboxamide?
1-carbamothioyl-N-(oxan-4-yl)cyclopentane-1-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(oxan-4-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 55038324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).