tert-butyl N-[(cyclohexylamino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]carbamate

C18H28N2O3S — CID 46222281

IUPACtert-butyl N-[(cyclohexylamino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]carbamate
SMILESCc1ccc(S(=O)(=NC(=O)OC(C)(C)C)NC2CCCCC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-14-10-12-16(13-11-14)24(22,19-15-8-6-5-7-9-15)20-17(21)23-18(2,3)4/h10-13,15H,5-9H2,1-4H3,(H,19,20,21,22)
InChIKeyDLPAUHLTWOOXQF-UHFFFAOYSA-N
MW352.50 g/mol
LogP4.59
Rot. Bonds3

About tert-butyl N-[(cyclohexylamino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]carbamate

tert-butyl N-[(cyclohexylamino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]carbamate (PubChem CID 46222281) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is tert-butyl N-[(cyclohexylamino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(cyclohexylamino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]carbamate
PubChem CID46222281
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Nametert-butyl N-[(cyclohexylamino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]carbamate
SMILESCc1ccc(S(=O)(=NC(=O)OC(C)(C)C)NC2CCCCC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-14-10-12-16(13-11-14)24(22,19-15-8-6-5-7-9-15)20-17(21)23-18(2,3)4/h10-13,15H,5-9H2,1-4H3,(H,19,20,21,22)
InChIKeyDLPAUHLTWOOXQF-UHFFFAOYSA-N
XLogP4.59
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(cyclohexylamino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]carbamate?
The IUPAC name of tert-butyl N-[(cyclohexylamino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]carbamate (CID 46222281) is tert-butyl N-[(cyclohexylamino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]carbamate.
What is the SMILES notation for tert-butyl N-[(cyclohexylamino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]carbamate?
The canonical SMILES for tert-butyl N-[(cyclohexylamino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]carbamate is Cc1ccc(S(=O)(=NC(=O)OC(C)(C)C)NC2CCCCC2)cc1.
What is the InChIKey of tert-butyl N-[(cyclohexylamino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]carbamate?
The InChIKey is DLPAUHLTWOOXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14-10-12-16(13-11-14)24(22,19-15-8-6-5-7-9-15)20-17(21)23-18(2,3)4/h10-13,15H,5-9H2,1-4H3,(H,19,20,21,22).
What are the key properties of tert-butyl N-[(cyclohexylamino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]carbamate?
tert-butyl N-[(cyclohexylamino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]carbamate has a molecular weight of 352.50 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(cyclohexylamino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]carbamate is sourced from PubChem (CID 46222281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).