1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine

C13H15NS — CID 43166668

IUPAC1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine
SMILESCC1CC1C(N)c1csc2ccccc12
InChIInChI=1S/C13H15NS/c1-8-6-10(8)13(14)11-7-15-12-5-3-2-4-9(11)12/h2-5,7-8,10,13H,6,14H2,1H3
InChIKeyHNYQRQNGTVGSOX-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.56
Rot. Bonds2

About 1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine

1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine (PubChem CID 43166668) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine
PubChem CID43166668
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine
SMILESCC1CC1C(N)c1csc2ccccc12
InChIInChI=1S/C13H15NS/c1-8-6-10(8)13(14)11-7-15-12-5-3-2-4-9(11)12/h2-5,7-8,10,13H,6,14H2,1H3
InChIKeyHNYQRQNGTVGSOX-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-3-yl-(3,4-dimethylcyclohexyl)methanamine
CID 104989207
(1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine
CID 98219426
(S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride
CID 171224597
1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine
CID 115862520
(S)-1-benzothiophen-3-yl(cyclopentyl)methanamine
CID 93025479
2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine
CID 65420177
(S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride
CID 171224599
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910
1-benzothiophen-3-yl(oxolan-3-yl)methanamine
CID 61273197
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
CID 107177277
(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine
CID 43150794

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine?
The IUPAC name of 1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine (CID 43166668) is 1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine?
The canonical SMILES for 1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine is CC1CC1C(N)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine?
The InChIKey is HNYQRQNGTVGSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-8-6-10(8)13(14)11-7-15-12-5-3-2-4-9(11)12/h2-5,7-8,10,13H,6,14H2,1H3.
What are the key properties of 1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine?
1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine has a molecular weight of 217.34 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 43166668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).