4-methyl-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride

C10H14ClNO2S — CID 46941751

IUPAC4-methyl-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride
SMILESCc1c(S(C)(=O)=O)ccc2c1CCN2.Cl
InChIInChI=1S/C10H13NO2S.ClH/c1-7-8-5-6-11-9(8)3-4-10(7)14(2,12)13;/h3-4,11H,5-6H2,1-2H3;1H
InChIKeyBRPALBFQTRITDN-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.79
Rot. Bonds1

About 4-methyl-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride

4-methyl-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride (PubChem CID 46941751) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 4-methyl-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride.

Molecular Properties

Compound Name4-methyl-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride
PubChem CID46941751
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name4-methyl-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride
SMILESCc1c(S(C)(=O)=O)ccc2c1CCN2.Cl
InChIInChI=1S/C10H13NO2S.ClH/c1-7-8-5-6-11-9(8)3-4-10(7)14(2,12)13;/h3-4,11H,5-6H2,1-2H3;1H
InChIKeyBRPALBFQTRITDN-UHFFFAOYSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride?
The IUPAC name of 4-methyl-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride (CID 46941751) is 4-methyl-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride.
What is the SMILES notation for 4-methyl-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride?
The canonical SMILES for 4-methyl-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride is Cc1c(S(C)(=O)=O)ccc2c1CCN2.Cl.
What is the InChIKey of 4-methyl-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride?
The InChIKey is BRPALBFQTRITDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S.ClH/c1-7-8-5-6-11-9(8)3-4-10(7)14(2,12)13;/h3-4,11H,5-6H2,1-2H3;1H.
What are the key properties of 4-methyl-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride?
4-methyl-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride has a molecular weight of 247.75 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride is sourced from PubChem (CID 46941751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).