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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Related Compounds

tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
CID 10774403
tert-butyl N-[(3S,6R)-6-hydroxy-2-oxoazocan-3-yl]carbamate
CID 102263285
tert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate
CID 23657246
tert-butyl N-[(4Z)-8-oxo-2,3,6,7-tetrahydro-1H-azocin-7-yl]carbamate
CID 141194832
tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate
CID 155351163
tert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate
CID 130420312
tert-butyl N-[(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamate
CID 166571691
tert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate
CID 166816959
tert-butyl N-[(3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxoazepan-3-yl]carbamate
CID 11728063
tert-butyl N-(4-oxopyrrolidin-3-yl)carbamate
CID 84669461
tert-butyl N-[(2S,3S)-2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamate
CID 121280859
tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate
CID 95654557

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).