tert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen

C11H24N2O3S — CID 143233012

IUPACtert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen
SMILESCC(C)(C)OC(=O)NC1CCSCCNC1=O.[H][H].[H][H]
InChIInChI=1S/C11H20N2O3S.2H2/c1-11(2,3)16-10(15)13-8-4-6-17-7-5-12-9(8)14;;/h8H,4-7H2,1-3H3,(H,12,14)(H,13,15);2*1H
InChIKeyFAYWFIXPKWGOBZ-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.62
Rot. Bonds1

About tert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen

tert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen (PubChem CID 143233012) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is tert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen
PubChem CID143233012
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Nametert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen
SMILESCC(C)(C)OC(=O)NC1CCSCCNC1=O.[H][H].[H][H]
InChIInChI=1S/C11H20N2O3S.2H2/c1-11(2,3)16-10(15)13-8-4-6-17-7-5-12-9(8)14;;/h8H,4-7H2,1-3H3,(H,12,14)(H,13,15);2*1H
InChIKeyFAYWFIXPKWGOBZ-UHFFFAOYSA-N
XLogP1.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen?
The IUPAC name of tert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen (CID 143233012) is tert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen.
What is the SMILES notation for tert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen?
The canonical SMILES for tert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen is CC(C)(C)OC(=O)NC1CCSCCNC1=O.[H][H].[H][H].
What is the InChIKey of tert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen?
The InChIKey is FAYWFIXPKWGOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S.2H2/c1-11(2,3)16-10(15)13-8-4-6-17-7-5-12-9(8)14;;/h8H,4-7H2,1-3H3,(H,12,14)(H,13,15);2*1H.
What are the key properties of tert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen?
tert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen has a molecular weight of 264.39 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen is sourced from PubChem (CID 143233012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).