1-benzothiophen-3-yl(oxolan-3-yl)methanamine

C13H15NOS — CID 61273197

IUPAC1-benzothiophen-3-yl(oxolan-3-yl)methanamine
SMILESNC(c1csc2ccccc12)C1CCOC1
InChIInChI=1S/C13H15NOS/c14-13(9-5-6-15-7-9)11-8-16-12-4-2-1-3-10(11)12/h1-4,8-9,13H,5-7,14H2
InChIKeyZRDKTHYKNCMSQS-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.94
Rot. Bonds2

About 1-benzothiophen-3-yl(oxolan-3-yl)methanamine

1-benzothiophen-3-yl(oxolan-3-yl)methanamine (PubChem CID 61273197) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-benzothiophen-3-yl(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl(oxolan-3-yl)methanamine
PubChem CID61273197
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name1-benzothiophen-3-yl(oxolan-3-yl)methanamine
SMILESNC(c1csc2ccccc12)C1CCOC1
InChIInChI=1S/C13H15NOS/c14-13(9-5-6-15-7-9)11-8-16-12-4-2-1-3-10(11)12/h1-4,8-9,13H,5-7,14H2
InChIKeyZRDKTHYKNCMSQS-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-benzothiophen-3-yl(bromo)methyl]oxolane
CID 61276898
(S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride
CID 171224597
(S)-1-benzothiophen-3-yl(cyclopentyl)methanamine
CID 93025479
(S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride
CID 171224599
2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine
CID 65330130
1-benzothiophen-3-yl-(3,4-dimethylcyclohexyl)methanamine
CID 104989207
1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131784
1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine
CID 43166668
(2-bromofuran-3-yl)-(oxolan-3-yl)methanamine
CID 106857614
1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine
CID 115862520
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
N-(1-benzothiophen-3-yl)oxolan-3-amine
CID 115969854

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl(oxolan-3-yl)methanamine?
The IUPAC name of 1-benzothiophen-3-yl(oxolan-3-yl)methanamine (CID 61273197) is 1-benzothiophen-3-yl(oxolan-3-yl)methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl(oxolan-3-yl)methanamine?
The canonical SMILES for 1-benzothiophen-3-yl(oxolan-3-yl)methanamine is NC(c1csc2ccccc12)C1CCOC1.
What is the InChIKey of 1-benzothiophen-3-yl(oxolan-3-yl)methanamine?
The InChIKey is ZRDKTHYKNCMSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c14-13(9-5-6-15-7-9)11-8-16-12-4-2-1-3-10(11)12/h1-4,8-9,13H,5-7,14H2.
What are the key properties of 1-benzothiophen-3-yl(oxolan-3-yl)methanamine?
1-benzothiophen-3-yl(oxolan-3-yl)methanamine has a molecular weight of 233.34 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl(oxolan-3-yl)methanamine is sourced from PubChem (CID 61273197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).