N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride

C11H15ClN2O3S — CID 119473829

IUPACN-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride
SMILESCS(=O)(=O)CC(=O)Nc1ccc2c(c1)CCN2.Cl
InChIInChI=1S/C11H14N2O3S.ClH/c1-17(15,16)7-11(14)13-9-2-3-10-8(6-9)4-5-12-10;/h2-3,6,12H,4-5,7H2,1H3,(H,13,14);1H
InChIKeyYBFUDJOCBMDCBA-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.06
Rot. Bonds3

About N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride

N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride (PubChem CID 119473829) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride
PubChem CID119473829
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC NameN-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride
SMILESCS(=O)(=O)CC(=O)Nc1ccc2c(c1)CCN2.Cl
InChIInChI=1S/C11H14N2O3S.ClH/c1-17(15,16)7-11(14)13-9-2-3-10-8(6-9)4-5-12-10;/h2-3,6,12H,4-5,7H2,1H3,(H,13,14);1H
InChIKeyYBFUDJOCBMDCBA-UHFFFAOYSA-N
XLogP1.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)butanamide
CID 63253204
N-(2,3-dihydro-1H-indol-5-yl)-3-methylsulfanylpropanamide;hydrochloride
CID 119473853
N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride
CID 119473761
2-acetamido-N-(2,3-dihydro-1H-indol-5-yl)acetamide
CID 63253037
N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride
CID 119473758
N-(2,3-dihydro-1H-indol-5-yl)-2-phenylacetamide
CID 63252775
2-cyclobutyl-N-(2,3-dihydro-1H-indol-5-yl)acetamide;hydrochloride
CID 119473771
N-(2,3-dihydro-1H-indol-5-yl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119473855
N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide
CID 63834008
N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide
CID 63242833
3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea
CID 79161283
N-(2,3-dihydro-1H-indol-5-yl)-1-methylcyclopropane-1-carboxamide
CID 119473770

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride (CID 119473829) is N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride is CS(=O)(=O)CC(=O)Nc1ccc2c(c1)CCN2.Cl.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride?
The InChIKey is YBFUDJOCBMDCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S.ClH/c1-17(15,16)7-11(14)13-9-2-3-10-8(6-9)4-5-12-10;/h2-3,6,12H,4-5,7H2,1H3,(H,13,14);1H.
What are the key properties of N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride?
N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride has a molecular weight of 290.77 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride is sourced from PubChem (CID 119473829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).