ethyl N-amino-N-methylsulfonylcarbamate

C4H10N2O4S — CID 146507748

IUPACethyl N-amino-N-methylsulfonylcarbamate
SMILESCCOC(=O)N(N)S(C)(=O)=O
InChIInChI=1S/C4H10N2O4S/c1-3-10-4(7)6(5)11(2,8)9/h3,5H2,1-2H3
InChIKeyBDJPGEQSIKLOGB-UHFFFAOYSA-N
MW182.20 g/mol
LogP-0.72
Rot. Bonds2

About ethyl N-amino-N-methylsulfonylcarbamate

ethyl N-amino-N-methylsulfonylcarbamate (PubChem CID 146507748) has the molecular formula C4H10N2O4S and a molecular weight of 182.20 g/mol. Its IUPAC name is ethyl N-amino-N-methylsulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-amino-N-methylsulfonylcarbamate
PubChem CID146507748
Molecular FormulaC4H10N2O4S
Molecular Weight182.20 g/mol
Exact Mass182.04
IUPAC Nameethyl N-amino-N-methylsulfonylcarbamate
SMILESCCOC(=O)N(N)S(C)(=O)=O
InChIInChI=1S/C4H10N2O4S/c1-3-10-4(7)6(5)11(2,8)9/h3,5H2,1-2H3
InChIKeyBDJPGEQSIKLOGB-UHFFFAOYSA-N
XLogP-0.72
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 54365685
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CID 174832882
ethyl N-acetyl-N-ethoxycarbonylcarbamate
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ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
CID 11777393
ethyl propanoate;methanesulfonic acid
CID 159764839
ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate
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ethyl N-amino-N-isocyanatocarbamate
CID 88841207

Frequently Asked Questions

What is the IUPAC name of ethyl N-amino-N-methylsulfonylcarbamate?
The IUPAC name of ethyl N-amino-N-methylsulfonylcarbamate (CID 146507748) is ethyl N-amino-N-methylsulfonylcarbamate.
What is the SMILES notation for ethyl N-amino-N-methylsulfonylcarbamate?
The canonical SMILES for ethyl N-amino-N-methylsulfonylcarbamate is CCOC(=O)N(N)S(C)(=O)=O.
What is the InChIKey of ethyl N-amino-N-methylsulfonylcarbamate?
The InChIKey is BDJPGEQSIKLOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O4S/c1-3-10-4(7)6(5)11(2,8)9/h3,5H2,1-2H3.
What are the key properties of ethyl N-amino-N-methylsulfonylcarbamate?
ethyl N-amino-N-methylsulfonylcarbamate has a molecular weight of 182.20 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-amino-N-methylsulfonylcarbamate is sourced from PubChem (CID 146507748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).