3-deuterio-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

C8H11NS — CID 118151137

IUPAC3-deuterio-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILES[2H]c1c(N)sc2c1CCCC2
InChIInChI=1S/C8H11NS/c9-8-5-6-3-1-2-4-7(6)10-8/h5H,1-4,9H2/i5D
InChIKeyFTGVDKSMUBJBME-UICOGKGYSA-N
MW154.26 g/mol
LogP2.21
Rot. Bonds

About 3-deuterio-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

3-deuterio-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (PubChem CID 118151137) has the molecular formula C8H11NS and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-deuterio-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.

Molecular Properties

Compound Name3-deuterio-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
PubChem CID118151137
Molecular FormulaC8H11NS
Molecular Weight154.26 g/mol
Exact Mass154.07
IUPAC Name3-deuterio-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILES[2H]c1c(N)sc2c1CCCC2
InChIInChI=1S/C8H11NS/c9-8-5-6-3-1-2-4-7(6)10-8/h5H,1-4,9H2/i5D
InChIKeyFTGVDKSMUBJBME-UICOGKGYSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-deuterio-4,5,6,7-tetrahydro-1-benzothiophen-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol
CID 96777587
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-en-1-amine
CID 105003788
4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 25236556
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclobutan-1-amine
CID 96770978
2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 62726946
bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 20542326
5-ethyl-4,6,7,8-tetrahydrothieno[3,2-c]azepin-2-amine
CID 13277390
3-amino-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid
CID 83034923
5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonitrile
CID 63024024
2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 10657175
3-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-one
CID 115795153

Frequently Asked Questions

What is the IUPAC name of 3-deuterio-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The IUPAC name of 3-deuterio-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CID 118151137) is 3-deuterio-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.
What is the SMILES notation for 3-deuterio-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The canonical SMILES for 3-deuterio-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is [2H]c1c(N)sc2c1CCCC2.
What is the InChIKey of 3-deuterio-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The InChIKey is FTGVDKSMUBJBME-UICOGKGYSA-N. The full InChI is InChI=1S/C8H11NS/c9-8-5-6-3-1-2-4-7(6)10-8/h5H,1-4,9H2/i5D.
What are the key properties of 3-deuterio-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
3-deuterio-4,5,6,7-tetrahydro-1-benzothiophen-2-amine has a molecular weight of 154.26 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is sourced from PubChem (CID 118151137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).