tert-butyl (NZ)-N-[benzyl(phenyl)-lambda4-sulfanylidene]carbamate

C18H21NO2S — CID 10686832

IUPACtert-butyl (NZ)-N-[benzyl(phenyl)-lambda4-sulfanylidene]carbamate
SMILESCC(C)(C)OC(=O)/N=S(/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2S/c1-18(2,3)21-17(20)19-22(16-12-8-5-9-13-16)14-15-10-6-4-7-11-15/h4-13H,14H2,1-3H3
InChIKeyOGTKWYRJZHMDBK-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.98
Rot. Bonds3

About tert-butyl (NZ)-N-[benzyl(phenyl)-lambda4-sulfanylidene]carbamate

tert-butyl (NZ)-N-[benzyl(phenyl)-lambda4-sulfanylidene]carbamate (PubChem CID 10686832) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is tert-butyl (NZ)-N-[benzyl(phenyl)-lambda4-sulfanylidene]carbamate.

Molecular Properties

Compound Nametert-butyl (NZ)-N-[benzyl(phenyl)-lambda4-sulfanylidene]carbamate
PubChem CID10686832
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Nametert-butyl (NZ)-N-[benzyl(phenyl)-lambda4-sulfanylidene]carbamate
SMILESCC(C)(C)OC(=O)/N=S(/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2S/c1-18(2,3)21-17(20)19-22(16-12-8-5-9-13-16)14-15-10-6-4-7-11-15/h4-13H,14H2,1-3H3
InChIKeyOGTKWYRJZHMDBK-UHFFFAOYSA-N
XLogP4.98
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (NZ)-N-[benzyl(phenyl)-lambda4-sulfanylidene]carbamate?
The IUPAC name of tert-butyl (NZ)-N-[benzyl(phenyl)-lambda4-sulfanylidene]carbamate (CID 10686832) is tert-butyl (NZ)-N-[benzyl(phenyl)-lambda4-sulfanylidene]carbamate.
What is the SMILES notation for tert-butyl (NZ)-N-[benzyl(phenyl)-lambda4-sulfanylidene]carbamate?
The canonical SMILES for tert-butyl (NZ)-N-[benzyl(phenyl)-lambda4-sulfanylidene]carbamate is CC(C)(C)OC(=O)/N=S(/Cc1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl (NZ)-N-[benzyl(phenyl)-lambda4-sulfanylidene]carbamate?
The InChIKey is OGTKWYRJZHMDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-18(2,3)21-17(20)19-22(16-12-8-5-9-13-16)14-15-10-6-4-7-11-15/h4-13H,14H2,1-3H3.
What are the key properties of tert-butyl (NZ)-N-[benzyl(phenyl)-lambda4-sulfanylidene]carbamate?
tert-butyl (NZ)-N-[benzyl(phenyl)-lambda4-sulfanylidene]carbamate has a molecular weight of 315.44 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (NZ)-N-[benzyl(phenyl)-lambda4-sulfanylidene]carbamate is sourced from PubChem (CID 10686832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).