2-chloro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylacetohydrazide

C8H15ClN2O4S — CID 46398665

IUPAC2-chloro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylacetohydrazide
SMILESCN(C)N(C(=O)CCl)C1CS(=O)(=O)CC1O
InChIInChI=1S/C8H15ClN2O4S/c1-10(2)11(8(13)3-9)6-4-16(14,15)5-7(6)12/h6-7,12H,3-5H2,1-2H3
InChIKeyAVJCIEUYVYFNFE-UHFFFAOYSA-N
MW270.74 g/mol
LogP-1.31
Rot. Bonds3

About 2-chloro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylacetohydrazide

2-chloro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylacetohydrazide (PubChem CID 46398665) has the molecular formula C8H15ClN2O4S and a molecular weight of 270.74 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylacetohydrazide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylacetohydrazide
PubChem CID46398665
Molecular FormulaC8H15ClN2O4S
Molecular Weight270.74 g/mol
Exact Mass270.04
IUPAC Name2-chloro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylacetohydrazide
SMILESCN(C)N(C(=O)CCl)C1CS(=O)(=O)CC1O
InChIInChI=1S/C8H15ClN2O4S/c1-10(2)11(8(13)3-9)6-4-16(14,15)5-7(6)12/h6-7,12H,3-5H2,1-2H3
InChIKeyAVJCIEUYVYFNFE-UHFFFAOYSA-N
XLogP-1.31
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylacetohydrazide?
The IUPAC name of 2-chloro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylacetohydrazide (CID 46398665) is 2-chloro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylacetohydrazide.
What is the SMILES notation for 2-chloro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylacetohydrazide?
The canonical SMILES for 2-chloro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylacetohydrazide is CN(C)N(C(=O)CCl)C1CS(=O)(=O)CC1O.
What is the InChIKey of 2-chloro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylacetohydrazide?
The InChIKey is AVJCIEUYVYFNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O4S/c1-10(2)11(8(13)3-9)6-4-16(14,15)5-7(6)12/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 2-chloro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylacetohydrazide?
2-chloro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylacetohydrazide has a molecular weight of 270.74 g/mol, XLogP of -1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylacetohydrazide is sourced from PubChem (CID 46398665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).