1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone

C18H24N2O3S — CID 71805982

IUPAC1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone
SMILESCC(C)(C)S(=O)(=O)C1CCN(C(=O)Cn2ccc3ccccc32)C1
InChIInChI=1S/C18H24N2O3S/c1-18(2,3)24(22,23)15-9-11-20(12-15)17(21)13-19-10-8-14-6-4-5-7-16(14)19/h4-8,10,15H,9,11-13H2,1-3H3
InChIKeyNAAYFFIRKCDABB-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.46
Rot. Bonds3

About 1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone

1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone (PubChem CID 71805982) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone.

Molecular Properties

Compound Name1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone
PubChem CID71805982
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone
SMILESCC(C)(C)S(=O)(=O)C1CCN(C(=O)Cn2ccc3ccccc32)C1
InChIInChI=1S/C18H24N2O3S/c1-18(2,3)24(22,23)15-9-11-20(12-15)17(21)13-19-10-8-14-6-4-5-7-16(14)19/h4-8,10,15H,9,11-13H2,1-3H3
InChIKeyNAAYFFIRKCDABB-UHFFFAOYSA-N
XLogP2.46
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-pyrrol-1-ylethanone
CID 71805978
2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone
CID 124848062
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 74249344
1-[(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one
CID 97417143
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile
CID 49061496
[(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-naphthalen-2-ylmethanone
CID 97427288
2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 52516114
1-(4-acetyl-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 56817791
1-(2,6-dimethylpiperidin-1-yl)-2-indol-1-ylethanone
CID 110702430
2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 86971243

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone?
The IUPAC name of 1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone (CID 71805982) is 1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone.
What is the SMILES notation for 1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone?
The canonical SMILES for 1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone is CC(C)(C)S(=O)(=O)C1CCN(C(=O)Cn2ccc3ccccc32)C1.
What is the InChIKey of 1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone?
The InChIKey is NAAYFFIRKCDABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-18(2,3)24(22,23)15-9-11-20(12-15)17(21)13-19-10-8-14-6-4-5-7-16(14)19/h4-8,10,15H,9,11-13H2,1-3H3.
What are the key properties of 1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone?
1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone has a molecular weight of 348.47 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone is sourced from PubChem (CID 71805982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).