1-(1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl)-N-methylmethanamine

C8H16N2S — CID 176871833

IUPAC1-(1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl)-N-methylmethanamine
SMILESCNCN1CC2CSCC2C1
InChIInChI=1S/C8H16N2S/c1-9-6-10-2-7-4-11-5-8(7)3-10/h7-9H,2-6H2,1H3
InChIKeyKJIHZSKBYQFQHL-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.46
Rot. Bonds2

About 1-(1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl)-N-methylmethanamine

1-(1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl)-N-methylmethanamine (PubChem CID 176871833) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 1-(1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl)-N-methylmethanamine
PubChem CID176871833
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name1-(1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl)-N-methylmethanamine
SMILESCNCN1CC2CSCC2C1
InChIInChI=1S/C8H16N2S/c1-9-6-10-2-7-4-11-5-8(7)3-10/h7-9H,2-6H2,1H3
InChIKeyKJIHZSKBYQFQHL-UHFFFAOYSA-N
XLogP0.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methylmethanamine
CID 176871843
5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole
CID 169244946
methanol;1-(methylaminomethyl)piperidin-4-amine
CID 143586103
ethane;3-thiabicyclo[3.1.0]hexane
CID 144739840
2-methyl-4-(methylaminomethyl)piperazine-1-carboxylic acid
CID 143678012
3-N,4-N-dimethylthiolane-3,4-diamine
CID 170597247
1-(aminomethyl)-N,N-diethyl-3-(methylaminomethyl)-1,3-diazinan-5-amine
CID 155258247
N-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanamine
CID 171641734
N-methyl-2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)ethanamine
CID 84766334
2-[3,5-dimethyl-4-[2-(methylamino)ethyl]piperazin-1-yl]-N-methylethanamine
CID 67634504
3-ethyl-3-azabicyclo[3.1.0]hexane
CID 69176949
1-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-2-methylpropan-2-amine
CID 130646527

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl)-N-methylmethanamine (CID 176871833) is 1-(1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl)-N-methylmethanamine is CNCN1CC2CSCC2C1.
What is the InChIKey of 1-(1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl)-N-methylmethanamine?
The InChIKey is KJIHZSKBYQFQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-9-6-10-2-7-4-11-5-8(7)3-10/h7-9H,2-6H2,1H3.
What are the key properties of 1-(1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl)-N-methylmethanamine?
1-(1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl)-N-methylmethanamine has a molecular weight of 172.30 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 176871833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).