1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanamine

C13H17NO3S — CID 115479181

IUPAC1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanamine
SMILESNC(CS(=O)c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C13H17NO3S/c14-11(9-1-2-9)8-18(15)10-3-4-12-13(7-10)17-6-5-16-12/h3-4,7,9,11H,1-2,5-6,8,14H2
InChIKeyFKZWFFMUOZQESP-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.30
Rot. Bonds4

About 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanamine

1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanamine (PubChem CID 115479181) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanamine
PubChem CID115479181
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanamine
SMILESNC(CS(=O)c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C13H17NO3S/c14-11(9-1-2-9)8-18(15)10-3-4-12-13(7-10)17-6-5-16-12/h3-4,7,9,11H,1-2,5-6,8,14H2
InChIKeyFKZWFFMUOZQESP-UHFFFAOYSA-N
XLogP1.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine
CID 64659864
1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanone
CID 115479414
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)pentan-2-amine
CID 113318461
methyl 2-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)acetate
CID 115478735
1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine
CID 104754397
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-N-propylpentan-2-amine
CID 115479211
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-N-ethyl-3-methoxypropan-2-amine
CID 107508873
4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethyl]aniline
CID 115478755
1-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfinyl)ethanone
CID 113318636
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-3-(propylamino)butan-1-ol
CID 115479207
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfinyl)-N-ethyl-3-methylbutan-2-amine
CID 115480290
N-cyclopentyl-3-[(S)-2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl]propanamide
CID 95761007

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanamine?
The IUPAC name of 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanamine (CID 115479181) is 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanamine is NC(CS(=O)c1ccc2c(c1)OCCO2)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanamine?
The InChIKey is FKZWFFMUOZQESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c14-11(9-1-2-9)8-18(15)10-3-4-12-13(7-10)17-6-5-16-12/h3-4,7,9,11H,1-2,5-6,8,14H2.
What are the key properties of 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanamine?
1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanamine has a molecular weight of 267.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanamine is sourced from PubChem (CID 115479181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).