2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane

C13H21NOS2 — CID 160861486

IUPAC2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
SMILESCC(C)C(=O)N1c2ccccc2C[C@H]1C.S.S
InChIInChI=1S/C13H17NO.2H2S/c1-9(2)13(15)14-10(3)8-11-6-4-5-7-12(11)14;;/h4-7,9-10H,8H2,1-3H3;2*1H2/t10-;;/m1../s1
InChIKeySKNYANAENIBMBS-YQFADDPSSA-N
MW271.45 g/mol
LogP2.85
Rot. Bonds1

About 2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane

2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane (PubChem CID 160861486) has the molecular formula C13H21NOS2 and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane.

Molecular Properties

Compound Name2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
PubChem CID160861486
Molecular FormulaC13H21NOS2
Molecular Weight271.45 g/mol
Exact Mass271.11
IUPAC Name2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
SMILESCC(C)C(=O)N1c2ccccc2C[C@H]1C.S.S
InChIInChI=1S/C13H17NO.2H2S/c1-9(2)13(15)14-10(3)8-11-6-4-5-7-12(11)14;;/h4-7,9-10H,8H2,1-3H3;2*1H2/t10-;;/m1../s1
InChIKeySKNYANAENIBMBS-YQFADDPSSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568
(2R)-2-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 79011425
(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-methylpyridin-1-ium-1-yl)propan-1-one
CID 8827343
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-phenylacetate
CID 7874744
(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 92685321
(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-pyridin-4-ylsulfanylpropan-1-one
CID 97024890
2-(4-bromophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 42968436
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929
(2R)-2-(4-benzoylpyridin-1-ium-1-yl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 8858659
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-methylbenzoate
CID 7717966
(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-pyridin-2-ylsulfanylpropan-1-one
CID 41299266

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane?
The IUPAC name of 2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane (CID 160861486) is 2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane.
What is the SMILES notation for 2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane?
The canonical SMILES for 2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane is CC(C)C(=O)N1c2ccccc2C[C@H]1C.S.S.
What is the InChIKey of 2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane?
The InChIKey is SKNYANAENIBMBS-YQFADDPSSA-N. The full InChI is InChI=1S/C13H17NO.2H2S/c1-9(2)13(15)14-10(3)8-11-6-4-5-7-12(11)14;;/h4-7,9-10H,8H2,1-3H3;2*1H2/t10-;;/m1../s1.
What are the key properties of 2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane?
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane has a molecular weight of 271.45 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane is sourced from PubChem (CID 160861486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).