(carbamoyloxydisulfanyl) N,N-dibenzylcarbamate

C16H16N2O4S2 — CID 88834735

IUPAC(carbamoyloxydisulfanyl) N,N-dibenzylcarbamate
SMILESNC(=O)OSSOC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H16N2O4S2/c17-15(19)21-23-24-22-16(20)18(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,17,19)
InChIKeyCORDMWHAAYDXLH-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.13
Rot. Bonds7

About (carbamoyloxydisulfanyl) N,N-dibenzylcarbamate

(carbamoyloxydisulfanyl) N,N-dibenzylcarbamate (PubChem CID 88834735) has the molecular formula C16H16N2O4S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (carbamoyloxydisulfanyl) N,N-dibenzylcarbamate.

Molecular Properties

Compound Name(carbamoyloxydisulfanyl) N,N-dibenzylcarbamate
PubChem CID88834735
Molecular FormulaC16H16N2O4S2
Molecular Weight364.45 g/mol
Exact Mass364.06
IUPAC Name(carbamoyloxydisulfanyl) N,N-dibenzylcarbamate
SMILESNC(=O)OSSOC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H16N2O4S2/c17-15(19)21-23-24-22-16(20)18(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,17,19)
InChIKeyCORDMWHAAYDXLH-UHFFFAOYSA-N
XLogP4.13
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(111C)methyl N,N-dibenzylcarbamate
CID 10106358
carbamothioic S-acid;dibenzylcarbamothioic S-acid
CID 87091037
amino(benzyl)carbamoperoxoic acid
CID 139935569
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
2-amino-N,N-dibenzylacetamide
CID 11107897
1-benzyl-1-chlorourea
CID 23442758
N',N'-dibenzylbutanediamide
CID 101024490
2-(dimethylamino)ethyl N,N-dibenzylcarbamate;iodomethane
CID 21119463
1,1-dibenzylthiourea
CID 3517261
benzyl N-benzyl-N-[(hydroxymethyldisulfanyl)methyl]carbamate
CID 90352441
benzyl N-amino-N-benzylcarbamate;hydrochloride
CID 172789622
benzyl (2S)-2-(dibenzylcarbamoyloxy)-3-phenylpropanoate
CID 54215648

Frequently Asked Questions

What is the IUPAC name of (carbamoyloxydisulfanyl) N,N-dibenzylcarbamate?
The IUPAC name of (carbamoyloxydisulfanyl) N,N-dibenzylcarbamate (CID 88834735) is (carbamoyloxydisulfanyl) N,N-dibenzylcarbamate.
What is the SMILES notation for (carbamoyloxydisulfanyl) N,N-dibenzylcarbamate?
The canonical SMILES for (carbamoyloxydisulfanyl) N,N-dibenzylcarbamate is NC(=O)OSSOC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (carbamoyloxydisulfanyl) N,N-dibenzylcarbamate?
The InChIKey is CORDMWHAAYDXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S2/c17-15(19)21-23-24-22-16(20)18(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,17,19).
What are the key properties of (carbamoyloxydisulfanyl) N,N-dibenzylcarbamate?
(carbamoyloxydisulfanyl) N,N-dibenzylcarbamate has a molecular weight of 364.45 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (carbamoyloxydisulfanyl) N,N-dibenzylcarbamate is sourced from PubChem (CID 88834735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).