tert-butyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate

C12H17NO2S2 — CID 21268846

IUPACtert-butyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CSc2sccc2C1
InChIInChI=1S/C12H17NO2S2/c1-12(2,3)15-11(14)13-9-6-8-4-5-16-10(8)17-7-9/h4-5,9H,6-7H2,1-3H3,(H,13,14)
InChIKeyNJLFEUJDYOCQIR-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.29
Rot. Bonds1

About tert-butyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate

tert-butyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate (PubChem CID 21268846) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is tert-butyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate
PubChem CID21268846
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC Nametert-butyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CSc2sccc2C1
InChIInChI=1S/C12H17NO2S2/c1-12(2,3)15-11(14)13-9-6-8-4-5-16-10(8)17-7-9/h4-5,9H,6-7H2,1-3H3,(H,13,14)
InChIKeyNJLFEUJDYOCQIR-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl (2-(thiophen-3-yl)ethyl)carbamate
CID 49670241
2,2,2-trifluoroethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate
CID 61173300
Ethyl 4-(2-thiophen-3-ylethylamino)piperidine-1-carboxylate
CID 19094019
(2-Thiophen-3-YL-ethyl)-carbamic acid tert-butyl ester
CID 19600076
N-propionyl-5,6-dihydro-4H-thieno[2,3-b]-thiopyran-5-amine
CID 21268840
5-ethoxycarbonylamino-5,6-dihydro-4H-thieno[2,3-b]thiopyran
CID 21268845
tert-butyl N-(3-cyano-1-thiophen-3-ylpropyl)carbamate
CID 59161740
Tert-butyl 2-cyano-1-(thiophen-3-yl)ethylcarbamate
CID 59161750
tert-butyl N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]carbamate
CID 59361266
tert-butyl N-[(2S)-1-oxo-3-thiophen-3-ylpropan-2-yl]carbamate
CID 59393627
tert-butyl N-(1-thiophen-3-ylpropan-2-yl)carbamate
CID 63789218
tert-butyl N-(2-cyano-2-thiophen-3-ylethyl)carbamate
CID 67243606

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate?
The IUPAC name of tert-butyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate (CID 21268846) is tert-butyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate is CC(C)(C)OC(=O)NC1CSc2sccc2C1.
What is the InChIKey of tert-butyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate?
The InChIKey is NJLFEUJDYOCQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S2/c1-12(2,3)15-11(14)13-9-6-8-4-5-16-10(8)17-7-9/h4-5,9H,6-7H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate?
tert-butyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate has a molecular weight of 271.41 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-5-yl)carbamate is sourced from PubChem (CID 21268846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).