aminosulfanyl(methyl)carbamic acid

C2H6N2O2S — CID 21481452

IUPACaminosulfanyl(methyl)carbamic acid
SMILESCN(SN)C(=O)O
InChIInChI=1S/C2H6N2O2S/c1-4(7-3)2(5)6/h3H2,1H3,(H,5,6)
InChIKeyFMOLNBPQGDRPTL-UHFFFAOYSA-N
MW122.15 g/mol
LogP0.12
Rot. Bonds1

About aminosulfanyl(methyl)carbamic acid

aminosulfanyl(methyl)carbamic acid (PubChem CID 21481452) has the molecular formula C2H6N2O2S and a molecular weight of 122.15 g/mol. Its IUPAC name is aminosulfanyl(methyl)carbamic acid.

Molecular Properties

Compound Nameaminosulfanyl(methyl)carbamic acid
PubChem CID21481452
Molecular FormulaC2H6N2O2S
Molecular Weight122.15 g/mol
Exact Mass122.01
IUPAC Nameaminosulfanyl(methyl)carbamic acid
SMILESCN(SN)C(=O)O
InChIInChI=1S/C2H6N2O2S/c1-4(7-3)2(5)6/h3H2,1H3,(H,5,6)
InChIKeyFMOLNBPQGDRPTL-UHFFFAOYSA-N
XLogP0.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.15
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl(methylsulfanyl)carbamic acid
CID 19961063
methoxysulfanyl(methyl)carbamic acid
CID 56630167
[chloro(difluoro)methyl]sulfanyl-methylcarbamic acid;hydrofluoride
CID 88838652
carbamic acid;N,N-dimethylmethanamine
CID 173358065
dimethylcarbamic acid;ethane
CID 143338074
dimethylcarbamic acid;nickel
CID 87135907
iodo(methyl)carbamic acid
CID 88640378
but-1-ynylsulfanyl(methyl)carbamic acid
CID 88753913
1-(carbamoylamino)sulfanyl-1-methylurea
CID 151656963
[2-(diethylamino)ethyldisulfanyl]-methylcarbamic acid
CID 23619551
3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
methyl(phenylmethoxysulfanyl)carbamic acid
CID 88739044

Frequently Asked Questions

What is the IUPAC name of aminosulfanyl(methyl)carbamic acid?
The IUPAC name of aminosulfanyl(methyl)carbamic acid (CID 21481452) is aminosulfanyl(methyl)carbamic acid.
What is the SMILES notation for aminosulfanyl(methyl)carbamic acid?
The canonical SMILES for aminosulfanyl(methyl)carbamic acid is CN(SN)C(=O)O.
What is the InChIKey of aminosulfanyl(methyl)carbamic acid?
The InChIKey is FMOLNBPQGDRPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O2S/c1-4(7-3)2(5)6/h3H2,1H3,(H,5,6).
What are the key properties of aminosulfanyl(methyl)carbamic acid?
aminosulfanyl(methyl)carbamic acid has a molecular weight of 122.15 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminosulfanyl(methyl)carbamic acid is sourced from PubChem (CID 21481452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).