[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane

C15H19FN2OS — CID 123347989

IUPAC[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane
SMILESC=S(C)(=O)N1CCC(c2c[nH]c3cccc(F)c23)CC1
InChIInChI=1S/C15H19FN2OS/c1-20(2,19)18-8-6-11(7-9-18)12-10-17-14-5-3-4-13(16)15(12)14/h3-5,10-11,17H,1,6-9H2,2H3
InChIKeyIVYVPFQWRBHHRS-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.75
Rot. Bonds2

About [4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane

[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane (PubChem CID 123347989) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is [4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane.

Molecular Properties

Compound Name[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane
PubChem CID123347989
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC Name[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane
SMILESC=S(C)(=O)N1CCC(c2c[nH]c3cccc(F)c23)CC1
InChIInChI=1S/C15H19FN2OS/c1-20(2,19)18-8-6-11(7-9-18)12-10-17-14-5-3-4-13(16)15(12)14/h3-5,10-11,17H,1,6-9H2,2H3
InChIKeyIVYVPFQWRBHHRS-UHFFFAOYSA-N
XLogP2.75
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclobutyl-4-fluoro-1H-indole
CID 86277821
4-fluoro-3-piperidin-4-yl-1H-indole
CID 15337634
methyl-methylidene-oxo-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane
CID 159505276
methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane
CID 157136728
6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 97064531
N-[[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfanyl]ethanamine
CID 144855051
2-[4-(4-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141562
3-(1-butylsulfonylpiperidin-4-yl)-1H-indole
CID 84562582
3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole
CID 110711055
3,4-difluoro-1H-indole
CID 90939330
N-[3-(1-ethylpiperidin-4-yl)-1H-indol-4-yl]formamide
CID 54347283
4-fluoro-3-[(1R,2R)-2-(piperazin-1-ylmethyl)cyclopropyl]-1H-indole
CID 150968246

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane?
The IUPAC name of [4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane (CID 123347989) is [4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane.
What is the SMILES notation for [4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane?
The canonical SMILES for [4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane is C=S(C)(=O)N1CCC(c2c[nH]c3cccc(F)c23)CC1.
What is the InChIKey of [4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane?
The InChIKey is IVYVPFQWRBHHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-20(2,19)18-8-6-11(7-9-18)12-10-17-14-5-3-4-13(16)15(12)14/h3-5,10-11,17H,1,6-9H2,2H3.
What are the key properties of [4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane?
[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane has a molecular weight of 294.39 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane is sourced from PubChem (CID 123347989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).