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

C13H15NOS — CID 115976272

IUPACN-(1-benzothiophen-3-yl)oxan-3-amine
SMILESc1ccc2c(NC3CCCOC3)csc2c1
InChIInChI=1S/C13H15NOS/c1-2-6-13-11(5-1)12(9-16-13)14-10-4-3-7-15-8-10/h1-2,5-6,9-10,14H,3-4,7-8H2
InChIKeyCDWSMIJZNKYVIR-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.49
Rot. Bonds2

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

N-(1-benzothiophen-3-yl)oxan-3-amine (PubChem CID 115976272) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is N-(1-benzothiophen-3-yl)oxan-3-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-yl)oxan-3-amine
PubChem CID115976272
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC NameN-(1-benzothiophen-3-yl)oxan-3-amine
SMILESc1ccc2c(NC3CCCOC3)csc2c1
InChIInChI=1S/C13H15NOS/c1-2-6-13-11(5-1)12(9-16-13)14-10-4-3-7-15-8-10/h1-2,5-6,9-10,14H,3-4,7-8H2
InChIKeyCDWSMIJZNKYVIR-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-3-yl)oxolan-3-amine
CID 115969854
N-(4-bromonaphthalen-1-yl)oxan-3-amine
CID 113384461
1-benzothiophen-3-yl(oxan-3-yl)methanone
CID 63012531
3-chloro-1-N-(oxan-3-yl)benzene-1,2-diamine
CID 104834544
N-(2-bromo-3-chlorophenyl)oxan-3-amine
CID 103478147
N-(1-benzothiophen-3-yl)morpholine-3-carboxamide
CID 115177568
N-[2-(trifluoromethylsulfonyl)phenyl]oxan-3-amine
CID 63364024
N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
2-fluoro-6-(oxan-3-ylamino)benzonitrile
CID 63611402
N-(bromomethyl)-1-benzothiophen-3-amine
CID 115261633
N-(2-fluorophenyl)oxolan-3-amine
CID 63332099
3-[bromo(cyclooctyl)methyl]-1-benzothiophene
CID 65020600

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-yl)oxan-3-amine?
The IUPAC name of N-(1-benzothiophen-3-yl)oxan-3-amine (CID 115976272) is N-(1-benzothiophen-3-yl)oxan-3-amine.
What is the SMILES notation for N-(1-benzothiophen-3-yl)oxan-3-amine?
The canonical SMILES for N-(1-benzothiophen-3-yl)oxan-3-amine is c1ccc2c(NC3CCCOC3)csc2c1.
What is the InChIKey of N-(1-benzothiophen-3-yl)oxan-3-amine?
The InChIKey is CDWSMIJZNKYVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-2-6-13-11(5-1)12(9-16-13)14-10-4-3-7-15-8-10/h1-2,5-6,9-10,14H,3-4,7-8H2.
What are the key properties of N-(1-benzothiophen-3-yl)oxan-3-amine?
N-(1-benzothiophen-3-yl)oxan-3-amine has a molecular weight of 233.34 g/mol, XLogP of 3.49, 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)oxan-3-amine is sourced from PubChem (CID 115976272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).