N'-(1,1-dioxothiolan-3-yl)cyclohexanecarbohydrazide

C11H20N2O3S — CID 102566309

IUPACN'-(1,1-dioxothiolan-3-yl)cyclohexanecarbohydrazide
SMILESO=C(NNC1CCS(=O)(=O)C1)C1CCCCC1
InChIInChI=1S/C11H20N2O3S/c14-11(9-4-2-1-3-5-9)13-12-10-6-7-17(15,16)8-10/h9-10,12H,1-8H2,(H,13,14)
InChIKeyOQQSEXONCUOOCP-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.37
Rot. Bonds3

About N'-(1,1-dioxothiolan-3-yl)cyclohexanecarbohydrazide

N'-(1,1-dioxothiolan-3-yl)cyclohexanecarbohydrazide (PubChem CID 102566309) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N'-(1,1-dioxothiolan-3-yl)cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-(1,1-dioxothiolan-3-yl)cyclohexanecarbohydrazide
PubChem CID102566309
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN'-(1,1-dioxothiolan-3-yl)cyclohexanecarbohydrazide
SMILESO=C(NNC1CCS(=O)(=O)C1)C1CCCCC1
InChIInChI=1S/C11H20N2O3S/c14-11(9-4-2-1-3-5-9)13-12-10-6-7-17(15,16)8-10/h9-10,12H,1-8H2,(H,13,14)
InChIKeyOQQSEXONCUOOCP-UHFFFAOYSA-N
XLogP0.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(3S)-1,1-dioxothiolan-3-yl]carbamothioyl]cyclohexanecarboxamide
CID 42546178
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[[(3S)-1,1-dioxothiolan-3-yl]amino]thiourea
CID 40603718
N-[(3S)-1,1-dioxothiolan-3-yl]azepane-1-carboxamide
CID 2424807
2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138181
N-(1,1-dioxothiolan-3-yl)azepane-1-carbothioamide
CID 2906191
N'-hydroxycyclohexanecarbohydrazide
CID 151692012
(1R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 98205718
N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide
CID 47127958
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
N'-(1,1-dioxothiolan-3-yl)-2-phenylacetohydrazide
CID 3805798

Frequently Asked Questions

What is the IUPAC name of N'-(1,1-dioxothiolan-3-yl)cyclohexanecarbohydrazide?
The IUPAC name of N'-(1,1-dioxothiolan-3-yl)cyclohexanecarbohydrazide (CID 102566309) is N'-(1,1-dioxothiolan-3-yl)cyclohexanecarbohydrazide.
What is the SMILES notation for N'-(1,1-dioxothiolan-3-yl)cyclohexanecarbohydrazide?
The canonical SMILES for N'-(1,1-dioxothiolan-3-yl)cyclohexanecarbohydrazide is O=C(NNC1CCS(=O)(=O)C1)C1CCCCC1.
What is the InChIKey of N'-(1,1-dioxothiolan-3-yl)cyclohexanecarbohydrazide?
The InChIKey is OQQSEXONCUOOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c14-11(9-4-2-1-3-5-9)13-12-10-6-7-17(15,16)8-10/h9-10,12H,1-8H2,(H,13,14).
What are the key properties of N'-(1,1-dioxothiolan-3-yl)cyclohexanecarbohydrazide?
N'-(1,1-dioxothiolan-3-yl)cyclohexanecarbohydrazide has a molecular weight of 260.36 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,1-dioxothiolan-3-yl)cyclohexanecarbohydrazide is sourced from PubChem (CID 102566309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).