tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate

C19H29N3O4S — CID 118318290

IUPACtert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate
SMILESCCN1CCc2c(sc(NC(=O)OC(C)(C)C)c2C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H29N3O4S/c1-5-21-7-6-13-14(12-21)27-16(20-18(24)26-19(2,3)4)15(13)17(23)22-8-10-25-11-9-22/h5-12H2,1-4H3,(H,20,24)
InChIKeyLLFUSXWUMPDFPM-UHFFFAOYSA-N
MW395.53 g/mol
LogP2.95
Rot. Bonds3

About tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate

tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate (PubChem CID 118318290) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate
PubChem CID118318290
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Nametert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate
SMILESCCN1CCc2c(sc(NC(=O)OC(C)(C)C)c2C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H29N3O4S/c1-5-21-7-6-13-14(12-21)27-16(20-18(24)26-19(2,3)4)15(13)17(23)22-8-10-25-11-9-22/h5-12H2,1-4H3,(H,20,24)
InChIKeyLLFUSXWUMPDFPM-UHFFFAOYSA-N
XLogP2.95
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate (CID 118318290) is tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate is CCN1CCc2c(sc(NC(=O)OC(C)(C)C)c2C(=O)N2CCOCC2)C1.
What is the InChIKey of tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate?
The InChIKey is LLFUSXWUMPDFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-5-21-7-6-13-14(12-21)27-16(20-18(24)26-19(2,3)4)15(13)17(23)22-8-10-25-11-9-22/h5-12H2,1-4H3,(H,20,24).
What are the key properties of tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate?
tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate has a molecular weight of 395.53 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 118318290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).