aminosulfanyl N-methylcarbamate

C2H6N2O2S — CID 21435462

IUPACaminosulfanyl N-methylcarbamate
SMILESCNC(=O)OSN
InChIInChI=1S/C2H6N2O2S/c1-4-2(5)6-7-3/h3H2,1H3,(H,4,5)
InChIKeyAPHZYEGZGSKAJT-UHFFFAOYSA-N
MW122.15 g/mol
LogP-0.14
Rot. Bonds1

About aminosulfanyl N-methylcarbamate

aminosulfanyl N-methylcarbamate (PubChem CID 21435462) has the molecular formula C2H6N2O2S and a molecular weight of 122.15 g/mol. Its IUPAC name is aminosulfanyl N-methylcarbamate.

Molecular Properties

Compound Nameaminosulfanyl N-methylcarbamate
PubChem CID21435462
Molecular FormulaC2H6N2O2S
Molecular Weight122.15 g/mol
Exact Mass122.01
IUPAC Nameaminosulfanyl N-methylcarbamate
SMILESCNC(=O)OSN
InChIInChI=1S/C2H6N2O2S/c1-4-2(5)6-7-3/h3H2,1H3,(H,4,5)
InChIKeyAPHZYEGZGSKAJT-UHFFFAOYSA-N
XLogP-0.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.15
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate
CID 175278368
methyl N-(methylcarbamoyloxy)ethanimidothioate
CID 4109
methane;bis(methyl N-methylcarbamate)
CID 159560145
ethane;bis(methyl N-methylcarbamate)
CID 91355167
carbamoyl N-(methylcarbamoyloxysulfanyl)methanimidate
CID 173369620
methylurea;ruthenium
CID 159209634
iodomethyl N-methylcarbamate
CID 88927146
2,2-bis(methylcarbamoyloxymethyl)butyl N-methylcarbamate
CID 59137176
ethyl N-(methylcarbamoyloxy)ethanimidothioate
CID 29861
5-(methylcarbamoyloxy)pentyl N-methylcarbamate
CID 59800394
ethyl N-methylcarbamate;formaldehyde
CID 160650405
2-(disulfanyl)ethyl N-methylcarbamate
CID 144923803

Frequently Asked Questions

What is the IUPAC name of aminosulfanyl N-methylcarbamate?
The IUPAC name of aminosulfanyl N-methylcarbamate (CID 21435462) is aminosulfanyl N-methylcarbamate.
What is the SMILES notation for aminosulfanyl N-methylcarbamate?
The canonical SMILES for aminosulfanyl N-methylcarbamate is CNC(=O)OSN.
What is the InChIKey of aminosulfanyl N-methylcarbamate?
The InChIKey is APHZYEGZGSKAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O2S/c1-4-2(5)6-7-3/h3H2,1H3,(H,4,5).
What are the key properties of aminosulfanyl N-methylcarbamate?
aminosulfanyl N-methylcarbamate has a molecular weight of 122.15 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminosulfanyl N-methylcarbamate is sourced from PubChem (CID 21435462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).