5-tert-butyl-N-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine

C12H24N2S — CID 139315713

IUPAC5-tert-butyl-N-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
SMILESCCNC1CSC2CN(C(C)(C)C)CC12
InChIInChI=1S/C12H24N2S/c1-5-13-10-8-15-11-7-14(6-9(10)11)12(2,3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyGQOIDFNLRSTBRU-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.81
Rot. Bonds2

About 5-tert-butyl-N-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine

5-tert-butyl-N-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine (PubChem CID 139315713) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 5-tert-butyl-N-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-N-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
PubChem CID139315713
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name5-tert-butyl-N-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
SMILESCCNC1CSC2CN(C(C)(C)C)CC12
InChIInChI=1S/C12H24N2S/c1-5-13-10-8-15-11-7-14(6-9(10)11)12(2,3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyGQOIDFNLRSTBRU-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
The IUPAC name of 5-tert-butyl-N-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine (CID 139315713) is 5-tert-butyl-N-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine.
What is the SMILES notation for 5-tert-butyl-N-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
The canonical SMILES for 5-tert-butyl-N-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine is CCNC1CSC2CN(C(C)(C)C)CC12.
What is the InChIKey of 5-tert-butyl-N-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
The InChIKey is GQOIDFNLRSTBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-5-13-10-8-15-11-7-14(6-9(10)11)12(2,3)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 5-tert-butyl-N-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
5-tert-butyl-N-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine has a molecular weight of 228.40 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine is sourced from PubChem (CID 139315713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).