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

C9H18N2S — CID 138719526

IUPAC5-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
SMILESCCN1CC2SCC(NC)C2C1
InChIInChI=1S/C9H18N2S/c1-3-11-4-7-8(10-2)6-12-9(7)5-11/h7-10H,3-6H2,1-2H3
InChIKeyOLENMPKZLNSITL-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.64
Rot. Bonds2

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

5-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine (PubChem CID 138719526) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 5-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
PubChem CID138719526
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name5-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
SMILESCCN1CC2SCC(NC)C2C1
InChIInChI=1S/C9H18N2S/c1-3-11-4-7-8(10-2)6-12-9(7)5-11/h7-10H,3-6H2,1-2H3
InChIKeyOLENMPKZLNSITL-UHFFFAOYSA-N
XLogP0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
The IUPAC name of 5-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine (CID 138719526) is 5-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine.
What is the SMILES notation for 5-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
The canonical SMILES for 5-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine is CCN1CC2SCC(NC)C2C1.
What is the InChIKey of 5-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
The InChIKey is OLENMPKZLNSITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-3-11-4-7-8(10-2)6-12-9(7)5-11/h7-10H,3-6H2,1-2H3.
What are the key properties of 5-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
5-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine has a molecular weight of 186.32 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine is sourced from PubChem (CID 138719526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).