2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine

C7H16N2O2S — CID 83006949

IUPAC2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine
SMILESCN(C)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C7H16N2O2S/c1-9(2)8-7-4-3-5-12(10,11)6-7/h7-8H,3-6H2,1-2H3
InChIKeyUMGYEOYAARCOMQ-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.37
Rot. Bonds2

About 2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine

2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine (PubChem CID 83006949) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine
PubChem CID83006949
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine
SMILESCN(C)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C7H16N2O2S/c1-9(2)8-7-4-3-5-12(10,11)6-7/h7-8H,3-6H2,1-2H3
InChIKeyUMGYEOYAARCOMQ-UHFFFAOYSA-N
XLogP-0.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 63909084
1-N-(1,1-dioxothian-3-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376309
4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 83202160
1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea
CID 104600925
4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide
CID 63923725
N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothian-3-amine
CID 102904188
1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thian-3-amine
CID 79353196
N-(4-fluorophenyl)-1,1-dioxothian-3-amine
CID 63910257
N-[(4-methylcyclohexyl)methyl]-1,1-dioxothian-3-amine
CID 63923240
N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide
CID 63924115
N-nonyl-1,1-dioxothian-3-amine
CID 63923728

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine?
The IUPAC name of 2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine (CID 83006949) is 2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine.
What is the SMILES notation for 2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine?
The canonical SMILES for 2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine is CN(C)NC1CCCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine?
The InChIKey is UMGYEOYAARCOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-9(2)8-7-4-3-5-12(10,11)6-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine?
2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine has a molecular weight of 192.28 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine is sourced from PubChem (CID 83006949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).