tert-butyl N-[4-(3-trimethylstannylthieno[2,3-b]pyrazin-6-yl)cyclohex-3-en-1-yl]carbamate

C20H29N3O2SSn — CID 177038410

IUPACtert-butyl N-[4-(3-trimethylstannylthieno[2,3-b]pyrazin-6-yl)cyclohex-3-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC=C(c2cc3ncc([Sn](C)(C)C)nc3s2)CC1
InChIInChI=1S/C17H20N3O2S.3CH3.Sn/c1-17(2,3)22-16(21)20-12-6-4-11(5-7-12)14-10-13-15(23-14)19-9-8-18-13;;;;/h4,8,10,12H,5-7H2,1-3H3,(H,20,21);3*1H3;
InChIKeyITHSQXJVTWISQZ-UHFFFAOYSA-N
MW494.25 g/mol
LogP4.70
Rot. Bonds3

About tert-butyl N-[4-(3-trimethylstannylthieno[2,3-b]pyrazin-6-yl)cyclohex-3-en-1-yl]carbamate

tert-butyl N-[4-(3-trimethylstannylthieno[2,3-b]pyrazin-6-yl)cyclohex-3-en-1-yl]carbamate (PubChem CID 177038410) has the molecular formula C20H29N3O2SSn and a molecular weight of 494.25 g/mol. Its IUPAC name is tert-butyl N-[4-(3-trimethylstannylthieno[2,3-b]pyrazin-6-yl)cyclohex-3-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-trimethylstannylthieno[2,3-b]pyrazin-6-yl)cyclohex-3-en-1-yl]carbamate
PubChem CID177038410
Molecular FormulaC20H29N3O2SSn
Molecular Weight494.25 g/mol
Exact Mass495.10
IUPAC Nametert-butyl N-[4-(3-trimethylstannylthieno[2,3-b]pyrazin-6-yl)cyclohex-3-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC=C(c2cc3ncc([Sn](C)(C)C)nc3s2)CC1
InChIInChI=1S/C17H20N3O2S.3CH3.Sn/c1-17(2,3)22-16(21)20-12-6-4-11(5-7-12)14-10-13-15(23-14)19-9-8-18-13;;;;/h4,8,10,12H,5-7H2,1-3H3,(H,20,21);3*1H3;
InChIKeyITHSQXJVTWISQZ-UHFFFAOYSA-N
XLogP4.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.25
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-(3-trimethylstannylthieno[2,3-b]pyrazin-6-yl)cyclohex-3-en-1-yl]carbamate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-trimethylstannylthieno[2,3-b]pyrazin-6-yl)cyclohex-3-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-trimethylstannylthieno[2,3-b]pyrazin-6-yl)cyclohex-3-en-1-yl]carbamate (CID 177038410) is tert-butyl N-[4-(3-trimethylstannylthieno[2,3-b]pyrazin-6-yl)cyclohex-3-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-trimethylstannylthieno[2,3-b]pyrazin-6-yl)cyclohex-3-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-trimethylstannylthieno[2,3-b]pyrazin-6-yl)cyclohex-3-en-1-yl]carbamate is CC(C)(C)OC(=O)NC1CC=C(c2cc3ncc([Sn](C)(C)C)nc3s2)CC1.
What is the InChIKey of tert-butyl N-[4-(3-trimethylstannylthieno[2,3-b]pyrazin-6-yl)cyclohex-3-en-1-yl]carbamate?
The InChIKey is ITHSQXJVTWISQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N3O2S.3CH3.Sn/c1-17(2,3)22-16(21)20-12-6-4-11(5-7-12)14-10-13-15(23-14)19-9-8-18-13;;;;/h4,8,10,12H,5-7H2,1-3H3,(H,20,21);3*1H3;.
What are the key properties of tert-butyl N-[4-(3-trimethylstannylthieno[2,3-b]pyrazin-6-yl)cyclohex-3-en-1-yl]carbamate?
tert-butyl N-[4-(3-trimethylstannylthieno[2,3-b]pyrazin-6-yl)cyclohex-3-en-1-yl]carbamate has a molecular weight of 494.25 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-trimethylstannylthieno[2,3-b]pyrazin-6-yl)cyclohex-3-en-1-yl]carbamate is sourced from PubChem (CID 177038410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).