(amino-methyl-oxo-λ6-sulfanylidene)carbamic acid

C2H6N2O3S — CID 174230640

IUPAC(amino-methyl-oxo-λ6-sulfanylidene)carbamic acid
SMILESCS(N)(=O)=NC(=O)O
InChIInChI=1S/C2H6N2O3S/c1-8(3,7)4-2(5)6/h1H3,(H,5,6)(H2,3,4,7)
InChIKeyYFDHTAQLTSZMHT-UHFFFAOYSA-N
MW138.15 g/mol
LogP-0.36
Rot. Bonds

About (amino-methyl-oxo-λ6-sulfanylidene)carbamic acid

(amino-methyl-oxo-λ6-sulfanylidene)carbamic acid (PubChem CID 174230640) has the molecular formula C2H6N2O3S and a molecular weight of 138.15 g/mol. Its IUPAC name is (amino-methyl-oxo-λ6-sulfanylidene)carbamic acid.

Molecular Properties

Compound Name(amino-methyl-oxo-λ6-sulfanylidene)carbamic acid
PubChem CID174230640
Molecular FormulaC2H6N2O3S
Molecular Weight138.15 g/mol
Exact Mass138.01
IUPAC Name(amino-methyl-oxo-λ6-sulfanylidene)carbamic acid
SMILESCS(N)(=O)=NC(=O)O
InChIInChI=1S/C2H6N2O3S/c1-8(3,7)4-2(5)6/h1H3,(H,5,6)(H2,3,4,7)
InChIKeyYFDHTAQLTSZMHT-UHFFFAOYSA-N
XLogP-0.36
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.15
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methanesulfonamide;propan-2-one
CID 158339378
[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]carbamic acid
CID 137405553
methanesulfonamide;dihydrochloride
CID 23102685
CID 160957536
CID 160957536
ethane;sulfamic acid
CID 172846940
3-amino-N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)propanamide
CID 176746813
(S-amino-N-isocyanosulfonimidoyl)methane
CID 176646728
1-(amino-methyl-oxo-λ6-sulfanylidene)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienyl)urea
CID 146603514
acetamide;methanesulfonyl chloride
CID 158311793
4-amino-2-methylsulfonylbutanoic acid
CID 64693404
2-methylprop-2-enoic acid;sulfamoyl fluoride
CID 175567061
(Z)-but-2-enedioic acid;ethanesulfonamide
CID 174568618

Frequently Asked Questions

What is the IUPAC name of (amino-methyl-oxo-λ6-sulfanylidene)carbamic acid?
The IUPAC name of (amino-methyl-oxo-λ6-sulfanylidene)carbamic acid (CID 174230640) is (amino-methyl-oxo-λ6-sulfanylidene)carbamic acid.
What is the SMILES notation for (amino-methyl-oxo-λ6-sulfanylidene)carbamic acid?
The canonical SMILES for (amino-methyl-oxo-λ6-sulfanylidene)carbamic acid is CS(N)(=O)=NC(=O)O.
What is the InChIKey of (amino-methyl-oxo-λ6-sulfanylidene)carbamic acid?
The InChIKey is YFDHTAQLTSZMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O3S/c1-8(3,7)4-2(5)6/h1H3,(H,5,6)(H2,3,4,7).
What are the key properties of (amino-methyl-oxo-λ6-sulfanylidene)carbamic acid?
(amino-methyl-oxo-λ6-sulfanylidene)carbamic acid has a molecular weight of 138.15 g/mol, XLogP of -0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (amino-methyl-oxo-λ6-sulfanylidene)carbamic acid is sourced from PubChem (CID 174230640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).