N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine

C15H21NS — CID 79220613

IUPACN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine
SMILESCC1(NCC2CSc3ccccc32)CCCC1
InChIInChI=1S/C15H21NS/c1-15(8-4-5-9-15)16-10-12-11-17-14-7-3-2-6-13(12)14/h2-3,6-7,12,16H,4-5,8-11H2,1H3
InChIKeyGBJRRDATPWVPSV-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.80
Rot. Bonds3

About N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine (PubChem CID 79220613) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine
PubChem CID79220613
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine
SMILESCC1(NCC2CSc3ccccc32)CCCC1
InChIInChI=1S/C15H21NS/c1-15(8-4-5-9-15)16-10-12-11-17-14-7-3-2-6-13(12)14/h2-3,6-7,12,16H,4-5,8-11H2,1H3
InChIKeyGBJRRDATPWVPSV-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine
CID 79221788
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
CID 79212606
[1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)-4-methylcyclohexyl]methanol
CID 79220776
1-(chloromethyl)-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexan-1-amine
CID 79227012
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-1-amine
CID 79227011
1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
CID 79213522
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 79215623
1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 79220843
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine
CID 115406592
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
2-(chloromethyl)-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)aniline
CID 79225982
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 79215728

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine (CID 79220613) is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine is CC1(NCC2CSc3ccccc32)CCCC1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine?
The InChIKey is GBJRRDATPWVPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-15(8-4-5-9-15)16-10-12-11-17-14-7-3-2-6-13(12)14/h2-3,6-7,12,16H,4-5,8-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine?
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine has a molecular weight of 247.41 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine is sourced from PubChem (CID 79220613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).