methyl(methylsulfanyl)carbamic acid

C3H7NO2S — CID 19961063

IUPACmethyl(methylsulfanyl)carbamic acid
SMILESCSN(C)C(=O)O
InChIInChI=1S/C3H7NO2S/c1-4(7-2)3(5)6/h1-2H3,(H,5,6)
InChIKeyVRAVHUKEXCESMN-UHFFFAOYSA-N
MW121.16 g/mol
LogP0.87
Rot. Bonds1

About methyl(methylsulfanyl)carbamic acid

methyl(methylsulfanyl)carbamic acid (PubChem CID 19961063) has the molecular formula C3H7NO2S and a molecular weight of 121.16 g/mol. Its IUPAC name is methyl(methylsulfanyl)carbamic acid.

Molecular Properties

Compound Namemethyl(methylsulfanyl)carbamic acid
PubChem CID19961063
Molecular FormulaC3H7NO2S
Molecular Weight121.16 g/mol
Exact Mass121.02
IUPAC Namemethyl(methylsulfanyl)carbamic acid
SMILESCSN(C)C(=O)O
InChIInChI=1S/C3H7NO2S/c1-4(7-2)3(5)6/h1-2H3,(H,5,6)
InChIKeyVRAVHUKEXCESMN-UHFFFAOYSA-N
XLogP0.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl(methylsulfanyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

aminosulfanyl(methyl)carbamic acid
CID 21481452
methoxysulfanyl(methyl)carbamic acid
CID 56630167
but-1-ynylsulfanyl(methyl)carbamic acid
CID 88753913
dimethylcarbamic acid;ethane
CID 143338074
dimethylcarbamic acid;nickel
CID 87135907
[chloro(difluoro)methyl]sulfanyl-methylcarbamic acid;hydrofluoride
CID 88838652
[2-(diethylamino)ethyldisulfanyl]-methylcarbamic acid
CID 23619551
iodo(methyl)carbamic acid
CID 88640378
2-[methyl(propyl)amino]acetic acid;hydrochloride
CID 50988218
ethane;2-[methyl(propyl)amino]acetic acid
CID 153373363
2-amino-N,4,4-trimethyl-N-methylsulfanylpentanamide
CID 129075178
propanoic acid;1,1,2-trimethylhydrazine
CID 90201241

Frequently Asked Questions

What is the IUPAC name of methyl(methylsulfanyl)carbamic acid?
The IUPAC name of methyl(methylsulfanyl)carbamic acid (CID 19961063) is methyl(methylsulfanyl)carbamic acid.
What is the SMILES notation for methyl(methylsulfanyl)carbamic acid?
The canonical SMILES for methyl(methylsulfanyl)carbamic acid is CSN(C)C(=O)O.
What is the InChIKey of methyl(methylsulfanyl)carbamic acid?
The InChIKey is VRAVHUKEXCESMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S/c1-4(7-2)3(5)6/h1-2H3,(H,5,6).
What are the key properties of methyl(methylsulfanyl)carbamic acid?
methyl(methylsulfanyl)carbamic acid has a molecular weight of 121.16 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(methylsulfanyl)carbamic acid is sourced from PubChem (CID 19961063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).