(2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one

C14H20N2OS — CID 104906801

IUPAC(2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one
SMILESCSCC[C@@H](N)C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C14H20N2OS/c1-10-9-11-5-3-4-6-13(11)16(10)14(17)12(15)7-8-18-2/h3-6,10,12H,7-9,15H2,1-2H3/t10?,12-/m1/s1
InChIKeyOCEMFPASVJDLBU-TVKKRMFBSA-N
MW264.39 g/mol
LogP2.04
Rot. Bonds4

About (2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one

(2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one (PubChem CID 104906801) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is (2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one
PubChem CID104906801
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name(2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one
SMILESCSCC[C@@H](N)C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C14H20N2OS/c1-10-9-11-5-3-4-6-13(11)16(10)14(17)12(15)7-8-18-2/h3-6,10,12H,7-9,15H2,1-2H3/t10?,12-/m1/s1
InChIKeyOCEMFPASVJDLBU-TVKKRMFBSA-N
XLogP2.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

(2S)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-methylsulfanylbutan-1-one
CID 63523011
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
CID 51469331
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
CID 51469332
(2R)-2-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 79011425
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
(2S)-2-amino-1-(3-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one;hydrochloride
CID 119295634
(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one
CID 107143827
1-(2-aminopentanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967654
(2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 103870802
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one?
The IUPAC name of (2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one (CID 104906801) is (2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one?
The canonical SMILES for (2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one is CSCC[C@@H](N)C(=O)N1c2ccccc2CC1C.
What is the InChIKey of (2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one?
The InChIKey is OCEMFPASVJDLBU-TVKKRMFBSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-9-11-5-3-4-6-13(11)16(10)14(17)12(15)7-8-18-2/h3-6,10,12H,7-9,15H2,1-2H3/t10?,12-/m1/s1.
What are the key properties of (2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one?
(2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one has a molecular weight of 264.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one is sourced from PubChem (CID 104906801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).