1-[5-(2-amino-2-methylpropyl)sulfanyl-2,3-dihydroindol-1-yl]ethanone

C14H20N2OS — CID 117032624

IUPAC1-[5-(2-amino-2-methylpropyl)sulfanyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(SCC(C)(C)N)ccc21
InChIInChI=1S/C14H20N2OS/c1-10(17)16-7-6-11-8-12(4-5-13(11)16)18-9-14(2,3)15/h4-5,8H,6-7,9,15H2,1-3H3
InChIKeyZJHBHPFTZMYRFP-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.42
Rot. Bonds3

About 1-[5-(2-amino-2-methylpropyl)sulfanyl-2,3-dihydroindol-1-yl]ethanone

1-[5-(2-amino-2-methylpropyl)sulfanyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 117032624) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[5-(2-amino-2-methylpropyl)sulfanyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-amino-2-methylpropyl)sulfanyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID117032624
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-[5-(2-amino-2-methylpropyl)sulfanyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(SCC(C)(C)N)ccc21
InChIInChI=1S/C14H20N2OS/c1-10(17)16-7-6-11-8-12(4-5-13(11)16)18-9-14(2,3)15/h4-5,8H,6-7,9,15H2,1-3H3
InChIKeyZJHBHPFTZMYRFP-UHFFFAOYSA-N
XLogP2.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(hydroxymethylsulfanyl)-2,3-dihydroindol-1-yl]ethanone
CID 117033391
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfanyl]acetonitrile
CID 117033962
1-[5-(azetidin-3-ylmethylsulfanyl)-2,3-dihydroindol-1-yl]ethanone
CID 117032122
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfanyl]propanenitrile
CID 117033981
tert-butyl 1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfanyl]pyrrole-3-carboxylate
CID 156725945
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
CID 29288915
1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone
CID 82255283
1-[6-(2,2-dimethylpropyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 91584426
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 82540698
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-amino-2-methylpropyl)sulfanyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(2-amino-2-methylpropyl)sulfanyl-2,3-dihydroindol-1-yl]ethanone (CID 117032624) is 1-[5-(2-amino-2-methylpropyl)sulfanyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(2-amino-2-methylpropyl)sulfanyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(2-amino-2-methylpropyl)sulfanyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(SCC(C)(C)N)ccc21.
What is the InChIKey of 1-[5-(2-amino-2-methylpropyl)sulfanyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is ZJHBHPFTZMYRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10(17)16-7-6-11-8-12(4-5-13(11)16)18-9-14(2,3)15/h4-5,8H,6-7,9,15H2,1-3H3.
What are the key properties of 1-[5-(2-amino-2-methylpropyl)sulfanyl-2,3-dihydroindol-1-yl]ethanone?
1-[5-(2-amino-2-methylpropyl)sulfanyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 264.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-amino-2-methylpropyl)sulfanyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 117032624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).