(2-hydrazinyl-2-oxoethyl) pyrrolidine-1-carbodithioate

C7H13N3OS2 — CID 853106

IUPAC(2-hydrazinyl-2-oxoethyl) pyrrolidine-1-carbodithioate
SMILESNNC(=O)CSC(=S)N1CCCC1
InChIInChI=1S/C7H13N3OS2/c8-9-6(11)5-13-7(12)10-3-1-2-4-10/h1-5,8H2,(H,9,11)
InChIKeyLHVLZHBELGCQAN-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.09
Rot. Bonds2

About (2-hydrazinyl-2-oxoethyl) pyrrolidine-1-carbodithioate

(2-hydrazinyl-2-oxoethyl) pyrrolidine-1-carbodithioate (PubChem CID 853106) has the molecular formula C7H13N3OS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is (2-hydrazinyl-2-oxoethyl) pyrrolidine-1-carbodithioate.

Molecular Properties

Compound Name(2-hydrazinyl-2-oxoethyl) pyrrolidine-1-carbodithioate
PubChem CID853106
Molecular FormulaC7H13N3OS2
Molecular Weight219.33 g/mol
Exact Mass219.05
IUPAC Name(2-hydrazinyl-2-oxoethyl) pyrrolidine-1-carbodithioate
SMILESNNC(=O)CSC(=S)N1CCCC1
InChIInChI=1S/C7H13N3OS2/c8-9-6(11)5-13-7(12)10-3-1-2-4-10/h1-5,8H2,(H,9,11)
InChIKeyLHVLZHBELGCQAN-UHFFFAOYSA-N
XLogP0.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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'}

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Related Compounds

[2-(cycloheptylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 4857334
[2-(4-acetamidoanilino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7607505
[2-(cyclohexylmethylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 78766011
[2-(2,4-difluoroanilino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7607052
[2-(naphthalen-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7607162
(2-anilino-2-oxoethyl) 2-(pyrrolidine-1-carbothioylsulfanyl)acetate
CID 8660171
ethyl pyrrolidine-1-carbodithioate
CID 14287987
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] pyrrolidine-1-carbodithioate
CID 7607354
[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] pyrrolidine-1-carbodithioate
CID 78510806
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] pyrrolidine-1-carbodithioate
CID 7705397
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7606007
[2-(3-cyanoanilino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7915899

Frequently Asked Questions

What is the IUPAC name of (2-hydrazinyl-2-oxoethyl) pyrrolidine-1-carbodithioate?
The IUPAC name of (2-hydrazinyl-2-oxoethyl) pyrrolidine-1-carbodithioate (CID 853106) is (2-hydrazinyl-2-oxoethyl) pyrrolidine-1-carbodithioate.
What is the SMILES notation for (2-hydrazinyl-2-oxoethyl) pyrrolidine-1-carbodithioate?
The canonical SMILES for (2-hydrazinyl-2-oxoethyl) pyrrolidine-1-carbodithioate is NNC(=O)CSC(=S)N1CCCC1.
What is the InChIKey of (2-hydrazinyl-2-oxoethyl) pyrrolidine-1-carbodithioate?
The InChIKey is LHVLZHBELGCQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS2/c8-9-6(11)5-13-7(12)10-3-1-2-4-10/h1-5,8H2,(H,9,11).
What are the key properties of (2-hydrazinyl-2-oxoethyl) pyrrolidine-1-carbodithioate?
(2-hydrazinyl-2-oxoethyl) pyrrolidine-1-carbodithioate has a molecular weight of 219.33 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydrazinyl-2-oxoethyl) pyrrolidine-1-carbodithioate is sourced from PubChem (CID 853106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).