N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzothiophen-3-amine

C15H21NS — CID 81338414

IUPACN-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzothiophen-3-amine
SMILESCC1(C)CCCC1NC1CSc2ccccc21
InChIInChI=1S/C15H21NS/c1-15(2)9-5-8-14(15)16-12-10-17-13-7-4-3-6-11(12)13/h3-4,6-7,12,14,16H,5,8-10H2,1-2H3
InChIKeySDLSPTTYGDZLTF-UHFFFAOYSA-N
MW247.41 g/mol
LogP4.00
Rot. Bonds2

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

N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 81338414) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID81338414
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC NameN-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzothiophen-3-amine
SMILESCC1(C)CCCC1NC1CSc2ccccc21
InChIInChI=1S/C15H21NS/c1-15(2)9-5-8-14(15)16-12-10-17-13-7-4-3-6-11(12)13/h3-4,6-7,12,14,16H,5,8-10H2,1-2H3
InChIKeySDLSPTTYGDZLTF-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine
CID 79857768
N-(2,3-dihydro-1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 81301136
N-(2,2-dimethylcyclohexyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 79866587
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
CID 81300725
N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81345629
N-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115721294
3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 79861874
1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidin-3-amine
CID 81344999
1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol
CID 81345434
N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine
CID 81302250
2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol
CID 81302336
N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79984326

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzothiophen-3-amine (CID 81338414) is N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzothiophen-3-amine is CC1(C)CCCC1NC1CSc2ccccc21.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is SDLSPTTYGDZLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-15(2)9-5-8-14(15)16-12-10-17-13-7-4-3-6-11(12)13/h3-4,6-7,12,14,16H,5,8-10H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzothiophen-3-amine?
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 247.41 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 81338414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).