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

C8H16N2S — CID 138719481

IUPACN,5-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
SMILESCNC1CSC2CN(C)CC12
InChIInChI=1S/C8H16N2S/c1-9-7-5-11-8-4-10(2)3-6(7)8/h6-9H,3-5H2,1-2H3
InChIKeyFGOBSRWCZSQJAX-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.25
Rot. Bonds1

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

N,5-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine (PubChem CID 138719481) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is N,5-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
PubChem CID138719481
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC NameN,5-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
SMILESCNC1CSC2CN(C)CC12
InChIInChI=1S/C8H16N2S/c1-9-7-5-11-8-4-10(2)3-6(7)8/h6-9H,3-5H2,1-2H3
InChIKeyFGOBSRWCZSQJAX-UHFFFAOYSA-N
XLogP0.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
The IUPAC name of N,5-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine (CID 138719481) is N,5-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine.
What is the SMILES notation for N,5-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
The canonical SMILES for N,5-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine is CNC1CSC2CN(C)CC12.
What is the InChIKey of N,5-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
The InChIKey is FGOBSRWCZSQJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-9-7-5-11-8-4-10(2)3-6(7)8/h6-9H,3-5H2,1-2H3.
What are the key properties of N,5-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
N,5-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine has a molecular weight of 172.30 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine is sourced from PubChem (CID 138719481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).