[1-cycloheptyl-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine

C13H26N2O2S — CID 105330653

IUPAC[1-cycloheptyl-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
SMILESNNC(CC1CCS(=O)(=O)C1)C1CCCCCC1
InChIInChI=1S/C13H26N2O2S/c14-15-13(12-5-3-1-2-4-6-12)9-11-7-8-18(16,17)10-11/h11-13,15H,1-10,14H2
InChIKeyHGFXREVHCJQHAE-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.61
Rot. Bonds4

About [1-cycloheptyl-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine

[1-cycloheptyl-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine (PubChem CID 105330653) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is [1-cycloheptyl-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-cycloheptyl-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
PubChem CID105330653
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name[1-cycloheptyl-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
SMILESNNC(CC1CCS(=O)(=O)C1)C1CCCCCC1
InChIInChI=1S/C13H26N2O2S/c14-15-13(12-5-3-1-2-4-6-12)9-11-7-8-18(16,17)10-11/h11-13,15H,1-10,14H2
InChIKeyHGFXREVHCJQHAE-UHFFFAOYSA-N
XLogP1.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-cycloheptyl-2-cyclohexylethyl)hydrazine
CID 105231955
(1-cyclobutyl-2-cycloheptylethyl)hydrazine
CID 105340070
(2-cycloheptyl-1-cyclopropylethyl)hydrazine
CID 105314505
(2-cyclohexyl-1-cyclopropylethyl)hydrazine
CID 105202415
1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 105090384
2-(1,1-dioxothiolan-3-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine
CID 105155339
2-(1,1-dioxothiolan-3-yl)-1-(oxan-3-yl)ethanamine
CID 107139034
2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 115336614
[1-(3-bicyclo[3.1.0]hexanyl)-2-cyclohexylethyl]hydrazine
CID 105296155
1-(1,1-dioxothiolan-3-yl)hex-4-yn-2-ylhydrazine
CID 105290634
[2-cyclopentyl-1-(4-ethylcyclohexyl)ethyl]hydrazine
CID 105231394
[2-cyclopentyl-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231643

Frequently Asked Questions

What is the IUPAC name of [1-cycloheptyl-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
The IUPAC name of [1-cycloheptyl-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine (CID 105330653) is [1-cycloheptyl-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-cycloheptyl-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-cycloheptyl-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine is NNC(CC1CCS(=O)(=O)C1)C1CCCCCC1.
What is the InChIKey of [1-cycloheptyl-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
The InChIKey is HGFXREVHCJQHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c14-15-13(12-5-3-1-2-4-6-12)9-11-7-8-18(16,17)10-11/h11-13,15H,1-10,14H2.
What are the key properties of [1-cycloheptyl-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
[1-cycloheptyl-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine has a molecular weight of 274.43 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cycloheptyl-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105330653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).