2,3,4,5-tetrahydro-1-benzothiophen-4-amine

C8H11NS — CID 142477804

IUPAC2,3,4,5-tetrahydro-1-benzothiophen-4-amine
SMILESNC1CC=CC2=C1CCS2
InChIInChI=1S/C8H11NS/c9-7-2-1-3-8-6(7)4-5-10-8/h1,3,7H,2,4-5,9H2
InChIKeyDCCGULRRMAVRKA-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.66
Rot. Bonds

About 2,3,4,5-tetrahydro-1-benzothiophen-4-amine

2,3,4,5-tetrahydro-1-benzothiophen-4-amine (PubChem CID 142477804) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1-benzothiophen-4-amine
PubChem CID142477804
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name2,3,4,5-tetrahydro-1-benzothiophen-4-amine
SMILESNC1CC=CC2=C1CCS2
InChIInChI=1S/C8H11NS/c9-7-2-1-3-8-6(7)4-5-10-8/h1,3,7H,2,4-5,9H2
InChIKeyDCCGULRRMAVRKA-UHFFFAOYSA-N
XLogP1.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Fluoro-3-[4-(fluoromethylsulfanyl)cyclohexa-1,5-dien-1-yl]propan-2-amine
CID 129313233
5-[(1E)-2-fluorobuta-1,3-dienyl]-2,4-dimethyl-2,3-dihydrothiophen-3-amine
CID 163602540
1,2,3a,4,5,5a,6,7-Octahydrothieno[2,3-c]quinoline
CID 66941998
2-Methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine
CID 70974519
2-Methyl-5-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine
CID 71166153
(Z,3S)-5-methyl-4-methylidene-1-methylsulfanylhept-5-en-3-amine
CID 89002712
7-Methyl-5,6-dihydro-1-benzothiophen-6-amine
CID 89073817
5,6-Dihydro-1-benzothiophen-5-amine
CID 89074072
(E,3S)-4-methylidene-1-methylsulfanylhept-5-en-3-amine
CID 89096198
(5R)-3a,4,5,6-tetrahydro-1-benzothiophen-5-amine
CID 89153781
4-Ethenyl-2-methyl-3-methylsulfanylcyclohexa-2,4-dien-1-amine
CID 89153838
(E,3S)-4-methylidene-1-methylsulfanyloct-5-en-3-amine
CID 89292777

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of 2,3,4,5-tetrahydro-1-benzothiophen-4-amine (CID 142477804) is 2,3,4,5-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for 2,3,4,5-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for 2,3,4,5-tetrahydro-1-benzothiophen-4-amine is NC1CC=CC2=C1CCS2.
What is the InChIKey of 2,3,4,5-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is DCCGULRRMAVRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c9-7-2-1-3-8-6(7)4-5-10-8/h1,3,7H,2,4-5,9H2.
What are the key properties of 2,3,4,5-tetrahydro-1-benzothiophen-4-amine?
2,3,4,5-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 153.25 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 142477804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).