(1-cyanocyclopentyl)carbamodithioic acid

C7H10N2S2 — CID 3052837

IUPAC(1-cyanocyclopentyl)carbamodithioic acid
SMILESN#CC1(NC(=S)S)CCCC1
InChIInChI=1S/C7H10N2S2/c8-5-7(9-6(10)11)3-1-2-4-7/h1-4H2,(H2,9,10,11)
InChIKeyUWRLQGXCYOASLM-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.63
Rot. Bonds1

About (1-cyanocyclopentyl)carbamodithioic acid

(1-cyanocyclopentyl)carbamodithioic acid (PubChem CID 3052837) has the molecular formula C7H10N2S2 and a molecular weight of 186.30 g/mol. Its IUPAC name is (1-cyanocyclopentyl)carbamodithioic acid.

Molecular Properties

Compound Name(1-cyanocyclopentyl)carbamodithioic acid
PubChem CID3052837
Molecular FormulaC7H10N2S2
Molecular Weight186.30 g/mol
Exact Mass186.03
IUPAC Name(1-cyanocyclopentyl)carbamodithioic acid
SMILESN#CC1(NC(=S)S)CCCC1
InChIInChI=1S/C7H10N2S2/c8-5-7(9-6(10)11)3-1-2-4-7/h1-4H2,(H2,9,10,11)
InChIKeyUWRLQGXCYOASLM-UHFFFAOYSA-N
XLogP1.63
TPSA35.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[(1-cyanocyclohexyl)amino]-4-oxobutanoic acid
CID 82287344
N-(1-cyanocyclopentyl)propanamide
CID 55029198
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
N-(1-cyanocyclopentyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111538101
N-(1-cyanocyclooctyl)cyclohexanecarboxamide
CID 54904581
1-(1-cyanocyclohexyl)-3-cyclopropylurea
CID 55209173
N-(1-cyanocyclopentyl)-2-methoxyacetamide
CID 60724698
1-(1-cyanocyclooctyl)-3-cyclopropylurea
CID 62698920
N-(1-cyanocyclopentyl)-3,3-dimethylbutanamide
CID 55029199
N-(1-cyanocyclopentyl)-2,2-dimethylpropanamide
CID 60704873
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
CID 26039921
N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide
CID 54904649

Frequently Asked Questions

What is the IUPAC name of (1-cyanocyclopentyl)carbamodithioic acid?
The IUPAC name of (1-cyanocyclopentyl)carbamodithioic acid (CID 3052837) is (1-cyanocyclopentyl)carbamodithioic acid.
What is the SMILES notation for (1-cyanocyclopentyl)carbamodithioic acid?
The canonical SMILES for (1-cyanocyclopentyl)carbamodithioic acid is N#CC1(NC(=S)S)CCCC1.
What is the InChIKey of (1-cyanocyclopentyl)carbamodithioic acid?
The InChIKey is UWRLQGXCYOASLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S2/c8-5-7(9-6(10)11)3-1-2-4-7/h1-4H2,(H2,9,10,11).
What are the key properties of (1-cyanocyclopentyl)carbamodithioic acid?
(1-cyanocyclopentyl)carbamodithioic acid has a molecular weight of 186.30 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyanocyclopentyl)carbamodithioic acid is sourced from PubChem (CID 3052837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).