hydrazinylmethyl N-cyclopentylcarbamodithioate

C7H15N3S2 — CID 57056282

IUPAChydrazinylmethyl N-cyclopentylcarbamodithioate
SMILESNNCSC(=S)NC1CCCC1
InChIInChI=1S/C7H15N3S2/c8-9-5-12-7(11)10-6-3-1-2-4-6/h6,9H,1-5,8H2,(H,10,11)
InChIKeyINJJHAIMYJZKDV-UHFFFAOYSA-N
MW205.35 g/mol
LogP0.96
Rot. Bonds3

About hydrazinylmethyl N-cyclopentylcarbamodithioate

hydrazinylmethyl N-cyclopentylcarbamodithioate (PubChem CID 57056282) has the molecular formula C7H15N3S2 and a molecular weight of 205.35 g/mol. Its IUPAC name is hydrazinylmethyl N-cyclopentylcarbamodithioate.

Molecular Properties

Compound Namehydrazinylmethyl N-cyclopentylcarbamodithioate
PubChem CID57056282
Molecular FormulaC7H15N3S2
Molecular Weight205.35 g/mol
Exact Mass205.07
IUPAC Namehydrazinylmethyl N-cyclopentylcarbamodithioate
SMILESNNCSC(=S)NC1CCCC1
InChIInChI=1S/C7H15N3S2/c8-9-5-12-7(11)10-6-3-1-2-4-6/h6,9H,1-5,8H2,(H,10,11)
InChIKeyINJJHAIMYJZKDV-UHFFFAOYSA-N
XLogP0.96
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze hydrazinylmethyl N-cyclopentylcarbamodithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-aminoethyl N-cyclooctylcarbamodithioate;hydrochloride
CID 2725797
2-(cyclooctylcarbamothioylsulfanyl)ethylazanium
CID 7004342
sodium;ethyl N-cyclohexylcarbamodithioate;hydride
CID 174424467
cycloheptylthiourea
CID 13433274
cyclooctylcarbamodithioic acid
CID 150069729
4-amino-N-cyclopentyl-4-sulfanylidenebutanamide
CID 82112394
1-cyclopentyl-3-(methylcarbamothioylamino)thiourea
CID 8789272
N-cyclohexylethanethioamide;ethane
CID 142134846
1-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
3-cyclopentyl-1,1-diethylthiourea
CID 19652948
N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide
CID 2975425
1-cyclopentyl-3-(2-methylsulfanylethyl)thiourea
CID 115760787

Frequently Asked Questions

What is the IUPAC name of hydrazinylmethyl N-cyclopentylcarbamodithioate?
The IUPAC name of hydrazinylmethyl N-cyclopentylcarbamodithioate (CID 57056282) is hydrazinylmethyl N-cyclopentylcarbamodithioate.
What is the SMILES notation for hydrazinylmethyl N-cyclopentylcarbamodithioate?
The canonical SMILES for hydrazinylmethyl N-cyclopentylcarbamodithioate is NNCSC(=S)NC1CCCC1.
What is the InChIKey of hydrazinylmethyl N-cyclopentylcarbamodithioate?
The InChIKey is INJJHAIMYJZKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3S2/c8-9-5-12-7(11)10-6-3-1-2-4-6/h6,9H,1-5,8H2,(H,10,11).
What are the key properties of hydrazinylmethyl N-cyclopentylcarbamodithioate?
hydrazinylmethyl N-cyclopentylcarbamodithioate has a molecular weight of 205.35 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinylmethyl N-cyclopentylcarbamodithioate is sourced from PubChem (CID 57056282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).