2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C17H21N5OS — CID 3228974

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C17H21N5OS/c1-12-10-13-6-2-5-9-15(13)21(12)16(23)11-24-17-18-19-20-22(17)14-7-3-4-8-14/h2,5-6,9,12,14H,3-4,7-8,10-11H2,1H3
InChIKeyBBHRKTOJWCBHDY-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.86
Rot. Bonds4

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 3228974) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID3228974
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C17H21N5OS/c1-12-10-13-6-2-5-9-15(13)21(12)16(23)11-24-17-18-19-20-22(17)14-7-3-4-8-14/h2,5-6,9,12,14H,3-4,7-8,10-11H2,1H3
InChIKeyBBHRKTOJWCBHDY-UHFFFAOYSA-N
XLogP2.86
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydro-1H-indol-1-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanone
CID 861216
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-benzyl-1H-tetrazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1332881
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 648639
1-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 652185
5-{[(1-methyl-1H-tetrazol-5-yl)thio]acetyl}-10,11-dihydro-5H-dibenzo[b,f]azepine
CID 1081023
1-(4-{[(1-cyclohexyl-1H-tetrazol-5-yl)sulfanyl]methyl}phenyl)pyrrolidine-2,5-dione
CID 1329086
2-(5-Benzyl-4-phenethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 3181020
2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 3212967
2-[(5-Cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3215002
1-Pyrrolidin-1-yl-2-[1-(5,6,7,8-tetrahydro-naphthalen-1-yl)-1H-tetrazol-5-ylsulfanyl]-ethanone
CID 3228994

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 3228974) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC1Cc2ccccc2N1C(=O)CSc1nnnn1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is BBHRKTOJWCBHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-12-10-13-6-2-5-9-15(13)21(12)16(23)11-24-17-18-19-20-22(17)14-7-3-4-8-14/h2,5-6,9,12,14H,3-4,7-8,10-11H2,1H3.
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 343.46 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 3228974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).