1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine

C12H18N2S — CID 62840592

IUPAC1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine
SMILESNC1CCN(C2CCCc3sccc32)C1
InChIInChI=1S/C12H18N2S/c13-9-4-6-14(8-9)11-2-1-3-12-10(11)5-7-15-12/h5,7,9,11H,1-4,6,8,13H2
InChIKeyOKOYUGUDARWVEY-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.16
Rot. Bonds1

About 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine

1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine (PubChem CID 62840592) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine
PubChem CID62840592
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine
SMILESNC1CCN(C2CCCc3sccc32)C1
InChIInChI=1S/C12H18N2S/c13-9-4-6-14(8-9)11-2-1-3-12-10(11)5-7-15-12/h5,7,9,11H,1-4,6,8,13H2
InChIKeyOKOYUGUDARWVEY-UHFFFAOYSA-N
XLogP2.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine
CID 62840248
[1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)azetidin-3-yl]oxidanium
CID 142063120
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-4-carboxylic acid
CID 114278739
3-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine
CID 64953584
2-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-dihydroisoindol-5-amine
CID 62842813
4-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine-2-carboxylic acid
CID 65067115
8-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62843533
N,4-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine
CID 115303898
(4aS,7aS)-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678811
2,5-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine
CID 64937414
5-methyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine
CID 62840410
N,2-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine
CID 62842394

Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine (CID 62840592) is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine is NC1CCN(C2CCCc3sccc32)C1.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine?
The InChIKey is OKOYUGUDARWVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c13-9-4-6-14(8-9)11-2-1-3-12-10(11)5-7-15-12/h5,7,9,11H,1-4,6,8,13H2.
What are the key properties of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine?
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine has a molecular weight of 222.36 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 62840592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).