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

C12H17ClN2OS — CID 119473853

IUPACN-(2,3-dihydro-1H-indol-5-yl)-3-methylsulfanylpropanamide;hydrochloride
SMILESCSCCC(=O)Nc1ccc2c(c1)CCN2.Cl
InChIInChI=1S/C12H16N2OS.ClH/c1-16-7-5-12(15)14-10-2-3-11-9(8-10)4-6-13-11;/h2-3,8,13H,4-7H2,1H3,(H,14,15);1H
InChIKeyYBJFMHWBYHEPNX-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.77
Rot. Bonds4

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

N-(2,3-dihydro-1H-indol-5-yl)-3-methylsulfanylpropanamide;hydrochloride (PubChem CID 119473853) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-yl)-3-methylsulfanylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-yl)-3-methylsulfanylpropanamide;hydrochloride
PubChem CID119473853
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC NameN-(2,3-dihydro-1H-indol-5-yl)-3-methylsulfanylpropanamide;hydrochloride
SMILESCSCCC(=O)Nc1ccc2c(c1)CCN2.Cl
InChIInChI=1S/C12H16N2OS.ClH/c1-16-7-5-12(15)14-10-2-3-11-9(8-10)4-6-13-11;/h2-3,8,13H,4-7H2,1H3,(H,14,15);1H
InChIKeyYBJFMHWBYHEPNX-UHFFFAOYSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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)-2-methylsulfonylacetamide;hydrochloride
CID 119473829
2-cyclobutyl-N-(2,3-dihydro-1H-indol-5-yl)acetamide;hydrochloride
CID 119473771
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
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
3-cyclopentyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide
CID 62632415
3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea
CID 79161283
N-(2,3-dihydro-1H-indol-5-yl)-4-methylsulfanylbenzamide
CID 79217122
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)-3-methylsulfanylpropanamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-3-methylsulfanylpropanamide;hydrochloride (CID 119473853) is N-(2,3-dihydro-1H-indol-5-yl)-3-methylsulfanylpropanamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-yl)-3-methylsulfanylpropanamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-yl)-3-methylsulfanylpropanamide;hydrochloride is CSCCC(=O)Nc1ccc2c(c1)CCN2.Cl.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-yl)-3-methylsulfanylpropanamide;hydrochloride?
The InChIKey is YBJFMHWBYHEPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS.ClH/c1-16-7-5-12(15)14-10-2-3-11-9(8-10)4-6-13-11;/h2-3,8,13H,4-7H2,1H3,(H,14,15);1H.
What are the key properties of N-(2,3-dihydro-1H-indol-5-yl)-3-methylsulfanylpropanamide;hydrochloride?
N-(2,3-dihydro-1H-indol-5-yl)-3-methylsulfanylpropanamide;hydrochloride has a molecular weight of 272.80 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-5-yl)-3-methylsulfanylpropanamide;hydrochloride is sourced from PubChem (CID 119473853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).