1-(2,3-dihydroindol-1-yl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone

C18H17N5O2S — CID 95571892

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone
SMILESO=C(C[S@](=O)Cc1nnnn1-c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C18H17N5O2S/c24-18(22-11-10-14-6-4-5-9-16(14)22)13-26(25)12-17-19-20-21-23(17)15-7-2-1-3-8-15/h1-9H,10-13H2/t26-/m1/s1
InChIKeyHXWTXDSOXNEWIY-AREMUKBSSA-N
MW367.43 g/mol
LogP1.50
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone (PubChem CID 95571892) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone
PubChem CID95571892
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone
SMILESO=C(C[S@](=O)Cc1nnnn1-c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C18H17N5O2S/c24-18(22-11-10-14-6-4-5-9-16(14)22)13-26(25)12-17-19-20-21-23(17)15-7-2-1-3-8-15/h1-9H,10-13H2/t26-/m1/s1
InChIKeyHXWTXDSOXNEWIY-AREMUKBSSA-N
XLogP1.50
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone
CID 56808144
1-(2,3-dihydroindol-1-yl)-2-[(S)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone
CID 95571893
1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 23917352
2-benzylsulfinyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 123099535
N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 99210544
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
(2S)-2-[(R)-(1-cyclopropyltetrazol-5-yl)methylsulfinyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 95599603
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
2-[(R)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfinyl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 97017169
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059098
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone (CID 95571892) is 1-(2,3-dihydroindol-1-yl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone is O=C(C[S@](=O)Cc1nnnn1-c1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone?
The InChIKey is HXWTXDSOXNEWIY-AREMUKBSSA-N. The full InChI is InChI=1S/C18H17N5O2S/c24-18(22-11-10-14-6-4-5-9-16(14)22)13-26(25)12-17-19-20-21-23(17)15-7-2-1-3-8-15/h1-9H,10-13H2/t26-/m1/s1.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone has a molecular weight of 367.43 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone is sourced from PubChem (CID 95571892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).