N-diazo-2-(oxiran-2-ylmethoxy)ethanesulfonamide

C5H9N3O4S — CID 57207034

IUPACN-diazo-2-(oxiran-2-ylmethoxy)ethanesulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)CCOCC1CO1
InChIInChI=1S/C5H9N3O4S/c6-7-8-13(9,10)2-1-11-3-5-4-12-5/h5H,1-4H2
InChIKeyZFGHXBHLHQTTPS-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.04
Rot. Bonds6

About N-diazo-2-(oxiran-2-ylmethoxy)ethanesulfonamide

N-diazo-2-(oxiran-2-ylmethoxy)ethanesulfonamide (PubChem CID 57207034) has the molecular formula C5H9N3O4S and a molecular weight of 207.21 g/mol. Its IUPAC name is N-diazo-2-(oxiran-2-ylmethoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-diazo-2-(oxiran-2-ylmethoxy)ethanesulfonamide
PubChem CID57207034
Molecular FormulaC5H9N3O4S
Molecular Weight207.21 g/mol
Exact Mass207.03
IUPAC NameN-diazo-2-(oxiran-2-ylmethoxy)ethanesulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)CCOCC1CO1
InChIInChI=1S/C5H9N3O4S/c6-7-8-13(9,10)2-1-11-3-5-4-12-5/h5H,1-4H2
InChIKeyZFGHXBHLHQTTPS-UHFFFAOYSA-N
XLogP0.04
TPSA104.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(oxiran-2-ylmethoxymethyl)oxirane diazide
CID 175700488
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanethiol
CID 156674386
2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 164777576
trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-λ4-sulfane
CID 144672879
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
[1,4-bis(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)butan-2-yl]oxysilane
CID 173303950
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446

Frequently Asked Questions

What is the IUPAC name of N-diazo-2-(oxiran-2-ylmethoxy)ethanesulfonamide?
The IUPAC name of N-diazo-2-(oxiran-2-ylmethoxy)ethanesulfonamide (CID 57207034) is N-diazo-2-(oxiran-2-ylmethoxy)ethanesulfonamide.
What is the SMILES notation for N-diazo-2-(oxiran-2-ylmethoxy)ethanesulfonamide?
The canonical SMILES for N-diazo-2-(oxiran-2-ylmethoxy)ethanesulfonamide is [N-]=[N+]=NS(=O)(=O)CCOCC1CO1.
What is the InChIKey of N-diazo-2-(oxiran-2-ylmethoxy)ethanesulfonamide?
The InChIKey is ZFGHXBHLHQTTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O4S/c6-7-8-13(9,10)2-1-11-3-5-4-12-5/h5H,1-4H2.
What are the key properties of N-diazo-2-(oxiran-2-ylmethoxy)ethanesulfonamide?
N-diazo-2-(oxiran-2-ylmethoxy)ethanesulfonamide has a molecular weight of 207.21 g/mol, XLogP of 0.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-2-(oxiran-2-ylmethoxy)ethanesulfonamide is sourced from PubChem (CID 57207034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).