N-methyl-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine

C7H14N2S — CID 138719508

IUPACN-methyl-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine
SMILESCNC1CSC2CNCC12
InChIInChI=1S/C7H14N2S/c1-8-6-4-10-7-3-9-2-5(6)7/h5-9H,2-4H2,1H3
InChIKeyDIWALKZUNXPHIX-UHFFFAOYSA-N
MW158.27 g/mol
LogP-0.09
Rot. Bonds1

About N-methyl-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine

N-methyl-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine (PubChem CID 138719508) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is N-methyl-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine.

Molecular Properties

Compound NameN-methyl-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine
PubChem CID138719508
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC NameN-methyl-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine
SMILESCNC1CSC2CNCC12
InChIInChI=1S/C7H14N2S/c1-8-6-4-10-7-3-9-2-5(6)7/h5-9H,2-4H2,1H3
InChIKeyDIWALKZUNXPHIX-UHFFFAOYSA-N
XLogP-0.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine?
The IUPAC name of N-methyl-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine (CID 138719508) is N-methyl-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine.
What is the SMILES notation for N-methyl-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine?
The canonical SMILES for N-methyl-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine is CNC1CSC2CNCC12.
What is the InChIKey of N-methyl-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine?
The InChIKey is DIWALKZUNXPHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-8-6-4-10-7-3-9-2-5(6)7/h5-9H,2-4H2,1H3.
What are the key properties of N-methyl-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine?
N-methyl-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine has a molecular weight of 158.27 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrol-3-amine is sourced from PubChem (CID 138719508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).