1-methyl-3-phenylsulfanyl-2-prop-2-enylindole

C18H17NS — CID 134960351

IUPAC1-methyl-3-phenylsulfanyl-2-prop-2-enylindole
SMILESC=CCc1c(Sc2ccccc2)c2ccccc2n1C
InChIInChI=1S/C18H17NS/c1-3-9-17-18(20-14-10-5-4-6-11-14)15-12-7-8-13-16(15)19(17)2/h3-8,10-13H,1,9H2,2H3
InChIKeyFPJDRLXJDQAQRD-UHFFFAOYSA-N
MW279.41 g/mol
LogP5.06
Rot. Bonds4

About 1-methyl-3-phenylsulfanyl-2-prop-2-enylindole

1-methyl-3-phenylsulfanyl-2-prop-2-enylindole (PubChem CID 134960351) has the molecular formula C18H17NS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-methyl-3-phenylsulfanyl-2-prop-2-enylindole.

Molecular Properties

Compound Name1-methyl-3-phenylsulfanyl-2-prop-2-enylindole
PubChem CID134960351
Molecular FormulaC18H17NS
Molecular Weight279.41 g/mol
Exact Mass279.11
IUPAC Name1-methyl-3-phenylsulfanyl-2-prop-2-enylindole
SMILESC=CCc1c(Sc2ccccc2)c2ccccc2n1C
InChIInChI=1S/C18H17NS/c1-3-9-17-18(20-14-10-5-4-6-11-14)15-12-7-8-13-16(15)19(17)2/h3-8,10-13H,1,9H2,2H3
InChIKeyFPJDRLXJDQAQRD-UHFFFAOYSA-N
XLogP5.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.41
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methyl-3-phenylsulfanyl-2-prop-2-enylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methyl-3-phenylsulfanylindol-2-yl)acetate
CID 4623225
N-(2-hydroxyethyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide
CID 630980
2-but-3-enyl-3-ethynyl-1-methylindole
CID 102400826
1-(benzenesulfonyl)-2-benzyl-3-phenylsulfanylindole
CID 25242898
1,3-dimethyl-2-prop-2-enylpyrrolo[3,2-c]pyridine
CID 10932162
(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene
CID 144690725
ethane;bis(9-methylcarbazole)
CID 159710949
5-methoxy-4-phenylsulfanyl-6-prop-2-enyl-1,3-benzodioxole
CID 71498929
3-benzyl-1,2-bis(prop-2-enyl)indole
CID 162407224
N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine
CID 107234543
4-phenylsulfanyl-5-prop-2-enyl-1H-imidazole
CID 135037685
2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylsulfanylindole;hydrochloride
CID 18968740

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylsulfanyl-2-prop-2-enylindole?
The IUPAC name of 1-methyl-3-phenylsulfanyl-2-prop-2-enylindole (CID 134960351) is 1-methyl-3-phenylsulfanyl-2-prop-2-enylindole.
What is the SMILES notation for 1-methyl-3-phenylsulfanyl-2-prop-2-enylindole?
The canonical SMILES for 1-methyl-3-phenylsulfanyl-2-prop-2-enylindole is C=CCc1c(Sc2ccccc2)c2ccccc2n1C.
What is the InChIKey of 1-methyl-3-phenylsulfanyl-2-prop-2-enylindole?
The InChIKey is FPJDRLXJDQAQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NS/c1-3-9-17-18(20-14-10-5-4-6-11-14)15-12-7-8-13-16(15)19(17)2/h3-8,10-13H,1,9H2,2H3.
What are the key properties of 1-methyl-3-phenylsulfanyl-2-prop-2-enylindole?
1-methyl-3-phenylsulfanyl-2-prop-2-enylindole has a molecular weight of 279.41 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylsulfanyl-2-prop-2-enylindole is sourced from PubChem (CID 134960351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).