2-(2,3-dihydro-1H-indol-4-yloxymethyl)thiane 1,1-dioxide

C14H19NO3S — CID 115074356

IUPAC2-(2,3-dihydro-1H-indol-4-yloxymethyl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCCC1COc1cccc2c1CCN2
InChIInChI=1S/C14H19NO3S/c16-19(17)9-2-1-4-11(19)10-18-14-6-3-5-13-12(14)7-8-15-13/h3,5-6,11,15H,1-2,4,7-10H2
InChIKeyYPLVHKMFZGEGTM-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.00
Rot. Bonds3

About 2-(2,3-dihydro-1H-indol-4-yloxymethyl)thiane 1,1-dioxide

2-(2,3-dihydro-1H-indol-4-yloxymethyl)thiane 1,1-dioxide (PubChem CID 115074356) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-4-yloxymethyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-4-yloxymethyl)thiane 1,1-dioxide
PubChem CID115074356
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-(2,3-dihydro-1H-indol-4-yloxymethyl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCCC1COc1cccc2c1CCN2
InChIInChI=1S/C14H19NO3S/c16-19(17)9-2-1-4-11(19)10-18-14-6-3-5-13-12(14)7-8-15-13/h3,5-6,11,15H,1-2,4,7-10H2
InChIKeyYPLVHKMFZGEGTM-UHFFFAOYSA-N
XLogP2.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,3,4-tetrahydroisoquinolin-5-yloxymethyl)thiane 1,1-dioxide
CID 115076162
4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074354
4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074368
5-[(1-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075157
5-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075173
5-[(1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075088
5-[(3-methylcyclopentyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075113
2-(2,3-dihydro-1H-indol-4-yloxymethyl)morpholine
CID 165348983
N-cyclopentyl-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide
CID 103045089
5-(2-bicyclo[2.2.1]heptanylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 103044970
4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074397
ethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate
CID 39733625

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-4-yloxymethyl)thiane 1,1-dioxide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-4-yloxymethyl)thiane 1,1-dioxide (CID 115074356) is 2-(2,3-dihydro-1H-indol-4-yloxymethyl)thiane 1,1-dioxide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-4-yloxymethyl)thiane 1,1-dioxide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-4-yloxymethyl)thiane 1,1-dioxide is O=S1(=O)CCCCC1COc1cccc2c1CCN2.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-4-yloxymethyl)thiane 1,1-dioxide?
The InChIKey is YPLVHKMFZGEGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c16-19(17)9-2-1-4-11(19)10-18-14-6-3-5-13-12(14)7-8-15-13/h3,5-6,11,15H,1-2,4,7-10H2.
What are the key properties of 2-(2,3-dihydro-1H-indol-4-yloxymethyl)thiane 1,1-dioxide?
2-(2,3-dihydro-1H-indol-4-yloxymethyl)thiane 1,1-dioxide has a molecular weight of 281.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-4-yloxymethyl)thiane 1,1-dioxide is sourced from PubChem (CID 115074356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).