1-benzothiophen-7-yl-(3-methylcyclopentyl)methanamine

C15H19NS — CID 81153500

IUPAC1-benzothiophen-7-yl-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(C(N)c2cccc3ccsc23)C1
InChIInChI=1S/C15H19NS/c1-10-5-6-12(9-10)14(16)13-4-2-3-11-7-8-17-15(11)13/h2-4,7-8,10,12,14H,5-6,9,16H2,1H3
InChIKeyBWZKSIMAEGBAPS-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.34
Rot. Bonds2

About 1-benzothiophen-7-yl-(3-methylcyclopentyl)methanamine

1-benzothiophen-7-yl-(3-methylcyclopentyl)methanamine (PubChem CID 81153500) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(3-methylcyclopentyl)methanamine
PubChem CID81153500
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name1-benzothiophen-7-yl-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(C(N)c2cccc3ccsc23)C1
InChIInChI=1S/C15H19NS/c1-10-5-6-12(9-10)14(16)13-4-2-3-11-7-8-17-15(11)13/h2-4,7-8,10,12,14H,5-6,9,16H2,1H3
InChIKeyBWZKSIMAEGBAPS-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-benzothiophen-7-yl-(3-methylcyclohexyl)methyl]hydrazine
CID 105210240
1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 116722960
(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine
CID 106645707
1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol
CID 81154320
3-[amino-(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 65415376
1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine
CID 81154241
1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine
CID 105022064
1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine
CID 81153893
N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118
1-benzothiophen-7-yl-(1-methylcyclopropyl)methanol
CID 81153991
1-(1-benzothiophen-7-yl)-2-cyclopentylethanol
CID 115827369
1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine
CID 105021793

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(3-methylcyclopentyl)methanamine?
The IUPAC name of 1-benzothiophen-7-yl-(3-methylcyclopentyl)methanamine (CID 81153500) is 1-benzothiophen-7-yl-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for 1-benzothiophen-7-yl-(3-methylcyclopentyl)methanamine?
The canonical SMILES for 1-benzothiophen-7-yl-(3-methylcyclopentyl)methanamine is CC1CCC(C(N)c2cccc3ccsc23)C1.
What is the InChIKey of 1-benzothiophen-7-yl-(3-methylcyclopentyl)methanamine?
The InChIKey is BWZKSIMAEGBAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-10-5-6-12(9-10)14(16)13-4-2-3-11-7-8-17-15(11)13/h2-4,7-8,10,12,14H,5-6,9,16H2,1H3.
What are the key properties of 1-benzothiophen-7-yl-(3-methylcyclopentyl)methanamine?
1-benzothiophen-7-yl-(3-methylcyclopentyl)methanamine has a molecular weight of 245.39 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 81153500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).