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

C13H19ClN2O3S — CID 119473761

IUPACN-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride
SMILESCC(C)(C(=O)Nc1ccc2c(c1)CCN2)S(C)(=O)=O.Cl
InChIInChI=1S/C13H18N2O3S.ClH/c1-13(2,19(3,17)18)12(16)15-10-4-5-11-9(8-10)6-7-14-11;/h4-5,8,14H,6-7H2,1-3H3,(H,15,16);1H
InChIKeyNAYOQZJYOSECOR-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.84
Rot. Bonds3

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

N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride (PubChem CID 119473761) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride
PubChem CID119473761
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC NameN-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride
SMILESCC(C)(C(=O)Nc1ccc2c(c1)CCN2)S(C)(=O)=O.Cl
InChIInChI=1S/C13H18N2O3S.ClH/c1-13(2,19(3,17)18)12(16)15-10-4-5-11-9(8-10)6-7-14-11;/h4-5,8,14H,6-7H2,1-3H3,(H,15,16);1H
InChIKeyNAYOQZJYOSECOR-UHFFFAOYSA-N
XLogP1.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride
CID 119473829
N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-phenylpropanamide
CID 63253292
N-(2,3-dihydro-1H-indol-5-yl)-2,2,3,3-tetrafluoropropanamide;hydrochloride
CID 119473799
N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide;hydrochloride
CID 119473758
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
CID 63834008
N-(2,3-dihydro-1H-indol-5-yl)butanamide
CID 63253204
N-(2,3-dihydro-1H-indol-5-yl)-1-methylcyclopropane-1-carboxamide
CID 119473770
N-(2,3-dihydro-1H-indol-5-yl)-2-methoxypropanamide
CID 115736922
3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea
CID 79161283
N-(2,3-dihydro-1H-indol-5-yl)-3-methylsulfanylpropanamide;hydrochloride
CID 119473853
N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
CID 175177569

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride (CID 119473761) is N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride is CC(C)(C(=O)Nc1ccc2c(c1)CCN2)S(C)(=O)=O.Cl.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride?
The InChIKey is NAYOQZJYOSECOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S.ClH/c1-13(2,19(3,17)18)12(16)15-10-4-5-11-9(8-10)6-7-14-11;/h4-5,8,14H,6-7H2,1-3H3,(H,15,16);1H.
What are the key properties of N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride?
N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride has a molecular weight of 318.83 g/mol, XLogP of 1.84, 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-methyl-2-methylsulfonylpropanamide;hydrochloride is sourced from PubChem (CID 119473761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).