N-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine

C14H17NOS — CID 115768581

IUPACN-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine
SMILESCC1(NCc2csc3ccccc23)CCOC1
InChIInChI=1S/C14H17NOS/c1-14(6-7-16-10-14)15-8-11-9-17-13-5-3-2-4-12(11)13/h2-5,9,15H,6-8,10H2,1H3
InChIKeyXMIBQSDFDZQOPC-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.17
Rot. Bonds3

About N-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine

N-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine (PubChem CID 115768581) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine
PubChem CID115768581
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine
SMILESCC1(NCc2csc3ccccc23)CCOC1
InChIInChI=1S/C14H17NOS/c1-14(6-7-16-10-14)15-8-11-9-17-13-5-3-2-4-12(11)13/h2-5,9,15H,6-8,10H2,1H3
InChIKeyXMIBQSDFDZQOPC-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3-methyloxolan-3-yl)amino]methyl]phenol
CID 115768602
N-(1-benzothiophen-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 114158577
1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine
CID 63736929
N-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 63736757
N-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine
CID 115768698
3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine
CID 115768836
[1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol
CID 79479191
N-(1-benzothiophen-3-ylmethyl)-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030020
N-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 60704533
N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine
CID 115768702
N-(1-benzothiophen-3-ylmethyl)-3-chloro-2,2-dimethylcyclobutan-1-amine
CID 114631979
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine (CID 115768581) is N-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine is CC1(NCc2csc3ccccc23)CCOC1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine?
The InChIKey is XMIBQSDFDZQOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-14(6-7-16-10-14)15-8-11-9-17-13-5-3-2-4-12(11)13/h2-5,9,15H,6-8,10H2,1H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine?
N-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine has a molecular weight of 247.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine is sourced from PubChem (CID 115768581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).