(methylsulfanylamino)carbamic acid

C2H6N2O2S — CID 151747670

IUPAC(methylsulfanylamino)carbamic acid
SMILESCSNNC(=O)O
InChIInChI=1S/C2H6N2O2S/c1-7-4-3-2(5)6/h3-4H,1H3,(H,5,6)
InChIKeyRNVVKTYSUNVEGF-UHFFFAOYSA-N
MW122.15 g/mol
LogP0.04
Rot. Bonds2

About (methylsulfanylamino)carbamic acid

(methylsulfanylamino)carbamic acid (PubChem CID 151747670) has the molecular formula C2H6N2O2S and a molecular weight of 122.15 g/mol. Its IUPAC name is (methylsulfanylamino)carbamic acid.

Molecular Properties

Compound Name(methylsulfanylamino)carbamic acid
PubChem CID151747670
Molecular FormulaC2H6N2O2S
Molecular Weight122.15 g/mol
Exact Mass122.01
IUPAC Name(methylsulfanylamino)carbamic acid
SMILESCSNNC(=O)O
InChIInChI=1S/C2H6N2O2S/c1-7-4-3-2(5)6/h3-4H,1H3,(H,5,6)
InChIKeyRNVVKTYSUNVEGF-UHFFFAOYSA-N
XLogP0.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.15
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (methylsulfanylamino)carbamic acid?
The IUPAC name of (methylsulfanylamino)carbamic acid (CID 151747670) is (methylsulfanylamino)carbamic acid.
What is the SMILES notation for (methylsulfanylamino)carbamic acid?
The canonical SMILES for (methylsulfanylamino)carbamic acid is CSNNC(=O)O.
What is the InChIKey of (methylsulfanylamino)carbamic acid?
The InChIKey is RNVVKTYSUNVEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O2S/c1-7-4-3-2(5)6/h3-4H,1H3,(H,5,6).
What are the key properties of (methylsulfanylamino)carbamic acid?
(methylsulfanylamino)carbamic acid has a molecular weight of 122.15 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (methylsulfanylamino)carbamic acid is sourced from PubChem (CID 151747670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).