N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine

C18H25NS — CID 81027517

IUPACN-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)CC(CC1CCCC1CNC1CC1)S2
InChIInChI=1S/C18H25NS/c1-2-7-18-14(4-1)11-17(20-18)10-13-5-3-6-15(13)12-19-16-8-9-16/h1-2,4,7,13,15-17,19H,3,5-6,8-12H2
InChIKeyZPGMGDJEAXHUHJ-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.26
Rot. Bonds5

About N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine

N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine (PubChem CID 81027517) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine
PubChem CID81027517
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC NameN-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)CC(CC1CCCC1CNC1CC1)S2
InChIInChI=1S/C18H25NS/c1-2-7-18-14(4-1)11-17(20-18)10-13-5-3-6-15(13)12-19-16-8-9-16/h1-2,4,7,13,15-17,19H,3,5-6,8-12H2
InChIKeyZPGMGDJEAXHUHJ-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine (CID 81027517) is N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine is c1ccc2c(c1)CC(CC1CCCC1CNC1CC1)S2.
What is the InChIKey of N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine?
The InChIKey is ZPGMGDJEAXHUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-2-7-18-14(4-1)11-17(20-18)10-13-5-3-6-15(13)12-19-16-8-9-16/h1-2,4,7,13,15-17,19H,3,5-6,8-12H2.
What are the key properties of N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine?
N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine has a molecular weight of 287.47 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 81027517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).