tert-butyl N-[1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidin-4-yl]carbamate

C19H26N2O3S2 — CID 91950503

IUPACtert-butyl N-[1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidin-4-yl]carbamate
SMILESCCc1cc2cc(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)sc2s1
InChIInChI=1S/C19H26N2O3S2/c1-5-14-10-12-11-15(26-17(12)25-14)16(22)21-8-6-13(7-9-21)20-18(23)24-19(2,3)4/h10-11,13H,5-9H2,1-4H3,(H,20,23)
InChIKeyYHNVIPFVMCMTHY-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.65
Rot. Bonds3

About tert-butyl N-[1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidin-4-yl]carbamate (PubChem CID 91950503) has the molecular formula C19H26N2O3S2 and a molecular weight of 394.56 g/mol. Its IUPAC name is tert-butyl N-[1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidin-4-yl]carbamate
PubChem CID91950503
Molecular FormulaC19H26N2O3S2
Molecular Weight394.56 g/mol
Exact Mass394.14
IUPAC Nametert-butyl N-[1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidin-4-yl]carbamate
SMILESCCc1cc2cc(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)sc2s1
InChIInChI=1S/C19H26N2O3S2/c1-5-14-10-12-11-15(26-17(12)25-14)16(22)21-8-6-13(7-9-21)20-18(23)24-19(2,3)4/h10-11,13H,5-9H2,1-4H3,(H,20,23)
InChIKeyYHNVIPFVMCMTHY-UHFFFAOYSA-N
XLogP4.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidin-4-yl]carbamate (CID 91950503) is tert-butyl N-[1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidin-4-yl]carbamate is CCc1cc2cc(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)sc2s1.
What is the InChIKey of tert-butyl N-[1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidin-4-yl]carbamate?
The InChIKey is YHNVIPFVMCMTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S2/c1-5-14-10-12-11-15(26-17(12)25-14)16(22)21-8-6-13(7-9-21)20-18(23)24-19(2,3)4/h10-11,13H,5-9H2,1-4H3,(H,20,23).
What are the key properties of tert-butyl N-[1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidin-4-yl]carbamate has a molecular weight of 394.56 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 91950503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).