disulfanylmethyl N-aminocarbamate

C2H6N2O2S2 — CID 88693012

IUPACdisulfanylmethyl N-aminocarbamate
SMILESNNC(=O)OCSS
InChIInChI=1S/C2H6N2O2S2/c3-4-2(5)6-1-8-7/h7H,1,3H2,(H,4,5)
InChIKeyATRIPNUKTOXTRL-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.12
Rot. Bonds2

About disulfanylmethyl N-aminocarbamate

disulfanylmethyl N-aminocarbamate (PubChem CID 88693012) has the molecular formula C2H6N2O2S2 and a molecular weight of 154.22 g/mol. Its IUPAC name is disulfanylmethyl N-aminocarbamate.

Molecular Properties

Compound Namedisulfanylmethyl N-aminocarbamate
PubChem CID88693012
Molecular FormulaC2H6N2O2S2
Molecular Weight154.22 g/mol
Exact Mass153.99
IUPAC Namedisulfanylmethyl N-aminocarbamate
SMILESNNC(=O)OCSS
InChIInChI=1S/C2H6N2O2S2/c3-4-2(5)6-1-8-7/h7H,1,3H2,(H,4,5)
InChIKeyATRIPNUKTOXTRL-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disulfanylmethyl N-aminocarbamate?
The IUPAC name of disulfanylmethyl N-aminocarbamate (CID 88693012) is disulfanylmethyl N-aminocarbamate.
What is the SMILES notation for disulfanylmethyl N-aminocarbamate?
The canonical SMILES for disulfanylmethyl N-aminocarbamate is NNC(=O)OCSS.
What is the InChIKey of disulfanylmethyl N-aminocarbamate?
The InChIKey is ATRIPNUKTOXTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O2S2/c3-4-2(5)6-1-8-7/h7H,1,3H2,(H,4,5).
What are the key properties of disulfanylmethyl N-aminocarbamate?
disulfanylmethyl N-aminocarbamate has a molecular weight of 154.22 g/mol, XLogP of 0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disulfanylmethyl N-aminocarbamate is sourced from PubChem (CID 88693012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).