(2S)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one

C18H17N5OS — CID 2661462

IUPAC(2S)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
SMILESC[C@H](Sc1nnnn1-c1ccccc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H17N5OS/c1-13(17(24)22-12-11-14-7-5-6-10-16(14)22)25-18-19-20-21-23(18)15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3/t13-/m0/s1
InChIKeyRFGRLZTYHJMUMJ-ZDUSSCGKSA-N
MW351.44 g/mol
LogP2.73
Rot. Bonds4

About (2S)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one

(2S)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one (PubChem CID 2661462) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is (2S)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
PubChem CID2661462
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name(2S)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
SMILESC[C@H](Sc1nnnn1-c1ccccc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H17N5OS/c1-13(17(24)22-12-11-14-7-5-6-10-16(14)22)25-18-19-20-21-23(18)15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3/t13-/m0/s1
InChIKeyRFGRLZTYHJMUMJ-ZDUSSCGKSA-N
XLogP2.73
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(2,3-Dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 861216
7-[[[1-(2-Methylphenyl)-5-tetrazolyl]thio]methyl]-5-thiazolo[3,2-a]pyrimidinone
CID 2446182
2-[1-(3-Methoxypropyl)tetrazol-5-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3212981
2-[(4,5-diethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1H-indol-1-yl)ethanone
CID 6457634
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
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2-[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1332881
AG-205
CID 1202545
2-{4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 2383570
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one?
The IUPAC name of (2S)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one (CID 2661462) is (2S)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one.
What is the SMILES notation for (2S)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one?
The canonical SMILES for (2S)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one is C[C@H](Sc1nnnn1-c1ccccc1)C(=O)N1CCc2ccccc21.
What is the InChIKey of (2S)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one?
The InChIKey is RFGRLZTYHJMUMJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-13(17(24)22-12-11-14-7-5-6-10-16(14)22)25-18-19-20-21-23(18)15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one?
(2S)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one has a molecular weight of 351.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one is sourced from PubChem (CID 2661462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).