N-(1-benzothiophen-3-yl)oxolan-3-amine

C12H13NOS — CID 115969854

IUPACN-(1-benzothiophen-3-yl)oxolan-3-amine
SMILESc1ccc2c(NC3CCOC3)csc2c1
InChIInChI=1S/C12H13NOS/c1-2-4-12-10(3-1)11(8-15-12)13-9-5-6-14-7-9/h1-4,8-9,13H,5-7H2
InChIKeyDIZXJCFDMGRAOD-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.10
Rot. Bonds2

About N-(1-benzothiophen-3-yl)oxolan-3-amine

N-(1-benzothiophen-3-yl)oxolan-3-amine (PubChem CID 115969854) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is N-(1-benzothiophen-3-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-yl)oxolan-3-amine
PubChem CID115969854
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC NameN-(1-benzothiophen-3-yl)oxolan-3-amine
SMILESc1ccc2c(NC3CCOC3)csc2c1
InChIInChI=1S/C12H13NOS/c1-2-4-12-10(3-1)11(8-15-12)13-9-5-6-14-7-9/h1-4,8-9,13H,5-7H2
InChIKeyDIZXJCFDMGRAOD-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-3-yl)oxan-3-amine
CID 115976272
N-(2-fluorophenyl)oxolan-3-amine
CID 63332099
N-(2-methoxyphenyl)oxolan-3-amine
CID 14978001
N-(1-benzothiophen-3-yl)morpholine-3-carboxamide
CID 115177568
3-[1-benzothiophen-3-yl(bromo)methyl]oxolane
CID 61276898
1-benzothiophen-3-yl(oxolan-3-yl)methanamine
CID 61273197
N-(2-ethylsulfanylphenyl)oxolan-3-amine
CID 63335369
N-(2-morpholin-4-ylphenyl)oxolan-3-amine
CID 63335851
N-(2,3-dichlorophenyl)oxolan-3-amine
CID 63331897
N-(2,5-dibromophenyl)oxolan-3-amine
CID 63335357
N-(bromomethyl)-1-benzothiophen-3-amine
CID 115261633
N-(4-bromonaphthalen-1-yl)oxan-3-amine
CID 113384461

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-yl)oxolan-3-amine?
The IUPAC name of N-(1-benzothiophen-3-yl)oxolan-3-amine (CID 115969854) is N-(1-benzothiophen-3-yl)oxolan-3-amine.
What is the SMILES notation for N-(1-benzothiophen-3-yl)oxolan-3-amine?
The canonical SMILES for N-(1-benzothiophen-3-yl)oxolan-3-amine is c1ccc2c(NC3CCOC3)csc2c1.
What is the InChIKey of N-(1-benzothiophen-3-yl)oxolan-3-amine?
The InChIKey is DIZXJCFDMGRAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-2-4-12-10(3-1)11(8-15-12)13-9-5-6-14-7-9/h1-4,8-9,13H,5-7H2.
What are the key properties of N-(1-benzothiophen-3-yl)oxolan-3-amine?
N-(1-benzothiophen-3-yl)oxolan-3-amine has a molecular weight of 219.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-yl)oxolan-3-amine is sourced from PubChem (CID 115969854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).