3-chloro-N',N'-dimethylpropane-1-sulfonohydrazide

C5H13ClN2O2S — CID 83023813

IUPAC3-chloro-N',N'-dimethylpropane-1-sulfonohydrazide
SMILESCN(C)NS(=O)(=O)CCCCl
InChIInChI=1S/C5H13ClN2O2S/c1-8(2)7-11(9,10)5-3-4-6/h7H,3-5H2,1-2H3
InChIKeyBVFKMUNUJFVWLT-UHFFFAOYSA-N
MW200.69 g/mol
LogP0.01
Rot. Bonds5

About 3-chloro-N',N'-dimethylpropane-1-sulfonohydrazide

3-chloro-N',N'-dimethylpropane-1-sulfonohydrazide (PubChem CID 83023813) has the molecular formula C5H13ClN2O2S and a molecular weight of 200.69 g/mol. Its IUPAC name is 3-chloro-N',N'-dimethylpropane-1-sulfonohydrazide.

Molecular Properties

Compound Name3-chloro-N',N'-dimethylpropane-1-sulfonohydrazide
PubChem CID83023813
Molecular FormulaC5H13ClN2O2S
Molecular Weight200.69 g/mol
Exact Mass200.04
IUPAC Name3-chloro-N',N'-dimethylpropane-1-sulfonohydrazide
SMILESCN(C)NS(=O)(=O)CCCCl
InChIInChI=1S/C5H13ClN2O2S/c1-8(2)7-11(9,10)5-3-4-6/h7H,3-5H2,1-2H3
InChIKeyBVFKMUNUJFVWLT-UHFFFAOYSA-N
XLogP0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-chloro-N',N'-dimethylpropane-1-sulfonohydrazide?
The IUPAC name of 3-chloro-N',N'-dimethylpropane-1-sulfonohydrazide (CID 83023813) is 3-chloro-N',N'-dimethylpropane-1-sulfonohydrazide.
What is the SMILES notation for 3-chloro-N',N'-dimethylpropane-1-sulfonohydrazide?
The canonical SMILES for 3-chloro-N',N'-dimethylpropane-1-sulfonohydrazide is CN(C)NS(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N',N'-dimethylpropane-1-sulfonohydrazide?
The InChIKey is BVFKMUNUJFVWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13ClN2O2S/c1-8(2)7-11(9,10)5-3-4-6/h7H,3-5H2,1-2H3.
What are the key properties of 3-chloro-N',N'-dimethylpropane-1-sulfonohydrazide?
3-chloro-N',N'-dimethylpropane-1-sulfonohydrazide has a molecular weight of 200.69 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N',N'-dimethylpropane-1-sulfonohydrazide is sourced from PubChem (CID 83023813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).