3-(aminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

C9H14N2S — CID 145481792

IUPAC3-(aminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESNCc1c(N)sc2c1CCCC2
InChIInChI=1S/C9H14N2S/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-5,10-11H2
InChIKeyUJROGBAOWSNHBI-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.67
Rot. Bonds1

About 3-(aminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

3-(aminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (PubChem CID 145481792) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 3-(aminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
PubChem CID145481792
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name3-(aminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESNCc1c(N)sc2c1CCCC2
InChIInChI=1S/C9H14N2S/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-5,10-11H2
InChIKeyUJROGBAOWSNHBI-UHFFFAOYSA-N
XLogP1.67
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-3-yl)methanamine
CID 114748647
3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 84766581
2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 5151249
2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
CID 601417
2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
CID 605976
3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
CID 82398824
3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 45117633
1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone
CID 65354676
2-amino-N,N-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 43174823
propyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 4551419
4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine
CID 3469612
4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethanamine
CID 5307012

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The IUPAC name of 3-(aminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CID 145481792) is 3-(aminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.
What is the SMILES notation for 3-(aminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The canonical SMILES for 3-(aminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is NCc1c(N)sc2c1CCCC2.
What is the InChIKey of 3-(aminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The InChIKey is UJROGBAOWSNHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-5,10-11H2.
What are the key properties of 3-(aminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
3-(aminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine has a molecular weight of 182.29 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is sourced from PubChem (CID 145481792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).