methyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate

C6H8N2O4S2 — CID 123901324

IUPACmethyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate
SMILESCOC(=O)N(C)S(=O)(=O)c1cncs1
InChIInChI=1S/C6H8N2O4S2/c1-8(6(9)12-2)14(10,11)5-3-7-4-13-5/h3-4H,1-2H3
InChIKeySLSNJCZZWOCITA-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.53
Rot. Bonds2

About methyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate

methyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate (PubChem CID 123901324) has the molecular formula C6H8N2O4S2 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate
PubChem CID123901324
Molecular FormulaC6H8N2O4S2
Molecular Weight236.27 g/mol
Exact Mass235.99
IUPAC Namemethyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate
SMILESCOC(=O)N(C)S(=O)(=O)c1cncs1
InChIInChI=1S/C6H8N2O4S2/c1-8(6(9)12-2)14(10,11)5-3-7-4-13-5/h3-4H,1-2H3
InChIKeySLSNJCZZWOCITA-UHFFFAOYSA-N
XLogP0.53
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate?
The IUPAC name of methyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate (CID 123901324) is methyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate.
What is the SMILES notation for methyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate?
The canonical SMILES for methyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate is COC(=O)N(C)S(=O)(=O)c1cncs1.
What is the InChIKey of methyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate?
The InChIKey is SLSNJCZZWOCITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4S2/c1-8(6(9)12-2)14(10,11)5-3-7-4-13-5/h3-4H,1-2H3.
What are the key properties of methyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate?
methyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate has a molecular weight of 236.27 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate is sourced from PubChem (CID 123901324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).