[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]carbamic acid

C5H9NO4S — CID 137405553

IUPAC[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]carbamic acid
SMILESCS(=O)(=NC(=O)O)C1COC1
InChIInChI=1S/C5H9NO4S/c1-11(9,6-5(7)8)4-2-10-3-4/h4H,2-3H2,1H3,(H,7,8)
InChIKeyZXPUVPUNGLRLQA-UHFFFAOYSA-N
MW179.20 g/mol
LogP0.16
Rot. Bonds1

About [methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]carbamic acid

[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]carbamic acid (PubChem CID 137405553) has the molecular formula C5H9NO4S and a molecular weight of 179.20 g/mol. Its IUPAC name is [methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]carbamic acid.

Molecular Properties

Compound Name[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]carbamic acid
PubChem CID137405553
Molecular FormulaC5H9NO4S
Molecular Weight179.20 g/mol
Exact Mass179.03
IUPAC Name[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]carbamic acid
SMILESCS(=O)(=NC(=O)O)C1COC1
InChIInChI=1S/C5H9NO4S/c1-11(9,6-5(7)8)4-2-10-3-4/h4H,2-3H2,1H3,(H,7,8)
InChIKeyZXPUVPUNGLRLQA-UHFFFAOYSA-N
XLogP0.16
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl-(oxetan-3-yl)-oxo-sulfanylimino-λ6-sulfane
CID 167121234
acetamide;benzyl N-[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]carbamate;3-methylsulfinyloxetane
CID 157481756
(amino-methyl-oxo-λ6-sulfanylidene)carbamic acid
CID 174230640
N-(1-hydroxypropan-2-yl)-N-methyloxetane-3-sulfonamide
CID 136535164
2-(3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid
CID 76809360
N-(ethyl-methyl-oxo-λ6-sulfanylidene)oxirane-2-carboxamide
CID 88906988
4-methyloxolane-3-carboxylic acid
CID 83669962
(3S,4R)-oxolane-3,4-dicarboxylic acid
CID 45084963
4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid
CID 66236203
2,2-dimethyl-1-(oxetan-3-yl)propan-1-one
CID 58961075
(2S)-2-(oxetan-3-yloxy)propanoic acid
CID 103338261
3-methyl-3-[2-(oxetan-3-ylsulfonyl)phenyl]butanoic acid
CID 117480896

Frequently Asked Questions

What is the IUPAC name of [methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]carbamic acid?
The IUPAC name of [methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]carbamic acid (CID 137405553) is [methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]carbamic acid.
What is the SMILES notation for [methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]carbamic acid?
The canonical SMILES for [methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]carbamic acid is CS(=O)(=NC(=O)O)C1COC1.
What is the InChIKey of [methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]carbamic acid?
The InChIKey is ZXPUVPUNGLRLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4S/c1-11(9,6-5(7)8)4-2-10-3-4/h4H,2-3H2,1H3,(H,7,8).
What are the key properties of [methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]carbamic acid?
[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]carbamic acid has a molecular weight of 179.20 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]carbamic acid is sourced from PubChem (CID 137405553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).