cyclopropyl-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanone

C16H17NOS — CID 79229049

IUPACcyclopropyl-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanone
SMILESO=C(c1ccn(CCSc2ccccc2)c1)C1CC1
InChIInChI=1S/C16H17NOS/c18-16(13-6-7-13)14-8-9-17(12-14)10-11-19-15-4-2-1-3-5-15/h1-5,8-9,12-13H,6-7,10-11H2
InChIKeyUFPOVCFIPJJKAK-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.87
Rot. Bonds6

About cyclopropyl-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanone

cyclopropyl-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanone (PubChem CID 79229049) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is cyclopropyl-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanone
PubChem CID79229049
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Namecyclopropyl-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanone
SMILESO=C(c1ccn(CCSc2ccccc2)c1)C1CC1
InChIInChI=1S/C16H17NOS/c18-16(13-6-7-13)14-8-9-17(12-14)10-11-19-15-4-2-1-3-5-15/h1-5,8-9,12-13H,6-7,10-11H2
InChIKeyUFPOVCFIPJJKAK-UHFFFAOYSA-N
XLogP3.87
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[1-(3-phenoxypropyl)pyrrol-3-yl]methanone
CID 79097089
cyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone
CID 79097328
cyclopropyl-(1-pent-4-enylpyrrol-3-yl)methanone
CID 79097491
3-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-2,2-dimethylpropanoic acid
CID 79621771
cyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone
CID 79097570
cyclopropyl-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanone
CID 79108495
[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-cyclopropylmethanone
CID 79097088
[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanamine
CID 79227630
2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone
CID 79097252
5-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-2,2-dimethylpentanenitrile
CID 79097005
cyclopropyl-[4-(3-phenoxypropylsulfanyl)phenyl]methanone
CID 94780031
cyclopropyl-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]methanone
CID 79108647

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanone (CID 79229049) is cyclopropyl-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanone is O=C(c1ccn(CCSc2ccccc2)c1)C1CC1.
What is the InChIKey of cyclopropyl-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanone?
The InChIKey is UFPOVCFIPJJKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c18-16(13-6-7-13)14-8-9-17(12-14)10-11-19-15-4-2-1-3-5-15/h1-5,8-9,12-13H,6-7,10-11H2.
What are the key properties of cyclopropyl-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanone?
cyclopropyl-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanone has a molecular weight of 271.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanone is sourced from PubChem (CID 79229049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).