2-[5-(azetidin-1-ylsulfinyl)-2-(cyclopenten-1-yl)phenyl]-1H-indole

C22H22N2OS — CID 168940731

IUPAC2-[5-(azetidin-1-ylsulfinyl)-2-(cyclopenten-1-yl)phenyl]-1H-indole
SMILESO=S(c1ccc(C2=CCCC2)c(-c2cc3ccccc3[nH]2)c1)N1CCC1
InChIInChI=1S/C22H22N2OS/c25-26(24-12-5-13-24)18-10-11-19(16-6-1-2-7-16)20(15-18)22-14-17-8-3-4-9-21(17)23-22/h3-4,6,8-11,14-15,23H,1-2,5,7,12-13H2
InChIKeyQLNFNQVJZHXYRG-UHFFFAOYSA-N
MW362.50 g/mol
LogP5.13
Rot. Bonds4

About 2-[5-(azetidin-1-ylsulfinyl)-2-(cyclopenten-1-yl)phenyl]-1H-indole

2-[5-(azetidin-1-ylsulfinyl)-2-(cyclopenten-1-yl)phenyl]-1H-indole (PubChem CID 168940731) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-[5-(azetidin-1-ylsulfinyl)-2-(cyclopenten-1-yl)phenyl]-1H-indole.

Molecular Properties

Compound Name2-[5-(azetidin-1-ylsulfinyl)-2-(cyclopenten-1-yl)phenyl]-1H-indole
PubChem CID168940731
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Name2-[5-(azetidin-1-ylsulfinyl)-2-(cyclopenten-1-yl)phenyl]-1H-indole
SMILESO=S(c1ccc(C2=CCCC2)c(-c2cc3ccccc3[nH]2)c1)N1CCC1
InChIInChI=1S/C22H22N2OS/c25-26(24-12-5-13-24)18-10-11-19(16-6-1-2-7-16)20(15-18)22-14-17-8-3-4-9-21(17)23-22/h3-4,6,8-11,14-15,23H,1-2,5,7,12-13H2
InChIKeyQLNFNQVJZHXYRG-UHFFFAOYSA-N
XLogP5.13
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[4-(azetidin-1-ylsulfinyl)-2-(1H-indol-2-yl)phenyl]pyrrolidin-3-yl]ethanamine
CID 168940651
4-(1H-indol-2-yl)cyclohept-4-en-1-one
CID 58890065
2-[3-(1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfinyl-2-methyl-1-morpholin-4-ylpropan-1-one
CID 168941068
3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 10131514
3-(3-fluoro-5-piperazin-1-ylsulfinyl-1H-indol-2-yl)-1H-quinolin-2-one
CID 142239755
2-[5-(azetidin-1-ylsulfanyl)-2-piperidin-1-ylphenyl]-1H-indole
CID 168941138
2-(2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfanylphenyl)-1H-indole
CID 168940531
1-[4-[(S)-ethylsulfinyl]-2-(1H-indol-2-yl)phenyl]pyrrolidin-3-ol;formonitrile
CID 176573642
2-cyclohexa-1,3-dien-1-yl-1H-indole
CID 91429074
N-[3-(1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfanylmethanamine
CID 168940660
2-(4-fluoro-6-piperidin-1-yl-3-pyridinyl)-1H-indole
CID 172593039
2-(2-iodophenyl)-1H-indole
CID 12996175

Frequently Asked Questions

What is the IUPAC name of 2-[5-(azetidin-1-ylsulfinyl)-2-(cyclopenten-1-yl)phenyl]-1H-indole?
The IUPAC name of 2-[5-(azetidin-1-ylsulfinyl)-2-(cyclopenten-1-yl)phenyl]-1H-indole (CID 168940731) is 2-[5-(azetidin-1-ylsulfinyl)-2-(cyclopenten-1-yl)phenyl]-1H-indole.
What is the SMILES notation for 2-[5-(azetidin-1-ylsulfinyl)-2-(cyclopenten-1-yl)phenyl]-1H-indole?
The canonical SMILES for 2-[5-(azetidin-1-ylsulfinyl)-2-(cyclopenten-1-yl)phenyl]-1H-indole is O=S(c1ccc(C2=CCCC2)c(-c2cc3ccccc3[nH]2)c1)N1CCC1.
What is the InChIKey of 2-[5-(azetidin-1-ylsulfinyl)-2-(cyclopenten-1-yl)phenyl]-1H-indole?
The InChIKey is QLNFNQVJZHXYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS/c25-26(24-12-5-13-24)18-10-11-19(16-6-1-2-7-16)20(15-18)22-14-17-8-3-4-9-21(17)23-22/h3-4,6,8-11,14-15,23H,1-2,5,7,12-13H2.
What are the key properties of 2-[5-(azetidin-1-ylsulfinyl)-2-(cyclopenten-1-yl)phenyl]-1H-indole?
2-[5-(azetidin-1-ylsulfinyl)-2-(cyclopenten-1-yl)phenyl]-1H-indole has a molecular weight of 362.50 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azetidin-1-ylsulfinyl)-2-(cyclopenten-1-yl)phenyl]-1H-indole is sourced from PubChem (CID 168940731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).