1-(2-methyl-1H-indol-3-yl)-2-pyridin-2-ylsulfanylethanone

C16H14N2OS — CID 753522

IUPAC1-(2-methyl-1H-indol-3-yl)-2-pyridin-2-ylsulfanylethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CSc1ccccn1
InChIInChI=1S/C16H14N2OS/c1-11-16(12-6-2-3-7-13(12)18-11)14(19)10-20-15-8-4-5-9-17-15/h2-9,18H,10H2,1H3
InChIKeyIQQRUFNSFFTCHJ-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.85
Rot. Bonds4

About 1-(2-methyl-1H-indol-3-yl)-2-pyridin-2-ylsulfanylethanone

1-(2-methyl-1H-indol-3-yl)-2-pyridin-2-ylsulfanylethanone (PubChem CID 753522) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-2-pyridin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-2-pyridin-2-ylsulfanylethanone
PubChem CID753522
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name1-(2-methyl-1H-indol-3-yl)-2-pyridin-2-ylsulfanylethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CSc1ccccn1
InChIInChI=1S/C16H14N2OS/c1-11-16(12-6-2-3-7-13(12)18-11)14(19)10-20-15-8-4-5-9-17-15/h2-9,18H,10H2,1H3
InChIKeyIQQRUFNSFFTCHJ-UHFFFAOYSA-N
XLogP3.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Acetylindole
CID 12802
Indole, 3-(dimethylaminoacetyl)-
CID 34863
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
CID 34864
3-(3-Dimethylaminopropionyl)indole
CID 32750
(E)-3-(2-methyl-1H-indol-3-yl)-1-pyridin-4-ylprop-2-en-1-one
CID 5718958
Ketone, 3-indolyl 4-piperidyl
CID 21344
Brassicanal A
CID 443054
Mls000737003
CID 5355550
Di(1H-indol-3-yl)methanone
CID 12380289
3-Benzoylindole
CID 84845
1-Acetyl-Beta-Carboline
CID 638667
Nictindole
CID 65796

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-pyridin-2-ylsulfanylethanone?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-pyridin-2-ylsulfanylethanone (CID 753522) is 1-(2-methyl-1H-indol-3-yl)-2-pyridin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-2-pyridin-2-ylsulfanylethanone?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-2-pyridin-2-ylsulfanylethanone is Cc1[nH]c2ccccc2c1C(=O)CSc1ccccn1.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-2-pyridin-2-ylsulfanylethanone?
The InChIKey is IQQRUFNSFFTCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11-16(12-6-2-3-7-13(12)18-11)14(19)10-20-15-8-4-5-9-17-15/h2-9,18H,10H2,1H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-2-pyridin-2-ylsulfanylethanone?
1-(2-methyl-1H-indol-3-yl)-2-pyridin-2-ylsulfanylethanone has a molecular weight of 282.37 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)-2-pyridin-2-ylsulfanylethanone is sourced from PubChem (CID 753522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).