3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole

C10H13NO2S — CID 115104033

IUPAC3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole
SMILESCS(=O)(=O)CC1CNc2ccccc21
InChIInChI=1S/C10H13NO2S/c1-14(12,13)7-8-6-11-10-5-3-2-4-9(8)10/h2-5,8,11H,6-7H2,1H3
InChIKeyLKSNQOWSAZZVSR-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.24
Rot. Bonds2

About 3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole

3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole (PubChem CID 115104033) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole
PubChem CID115104033
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole
SMILESCS(=O)(=O)CC1CNc2ccccc21
InChIInChI=1S/C10H13NO2S/c1-14(12,13)7-8-6-11-10-5-3-2-4-9(8)10/h2-5,8,11H,6-7H2,1H3
InChIKeyLKSNQOWSAZZVSR-UHFFFAOYSA-N
XLogP1.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
3-ethyl-2,3-dihydro-1H-indole;fluorobenzene
CID 174405299
4-(methylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104290
4-(ethylsulfonylmethyl)-1,2,3,4-tetrahydroquinoline
CID 115104486
3-(2-methyl-2-nitrosopropyl)-2,3-dihydro-1H-indole
CID 166944307
3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole
CID 145312543
4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine
CID 80566784
2-(2,3-dihydro-1H-indol-3-yl)-N-propan-2-ylsulfonylacetamide
CID 103307769
N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]propan-2-amine
CID 114807450
3-(2,3-dihydro-1H-indol-3-yl)-2,2-dimethylpropanoic acid
CID 117199439
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
CID 80567242
N-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine
CID 80567020

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole (CID 115104033) is 3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole is CS(=O)(=O)CC1CNc2ccccc21.
What is the InChIKey of 3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole?
The InChIKey is LKSNQOWSAZZVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-14(12,13)7-8-6-11-10-5-3-2-4-9(8)10/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole?
3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole has a molecular weight of 211.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 115104033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).