[4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-dimethylidene-λ6-sulfane

C16H23FN2S — CID 144855096

IUPAC[4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-dimethylidene-λ6-sulfane
SMILESC=S(=C)(C)N1CCC(C2CNc3cc(F)ccc32)CC1
InChIInChI=1S/C16H23FN2S/c1-20(2,3)19-8-6-12(7-9-19)15-11-18-16-10-13(17)4-5-14(15)16/h4-5,10,12,15,18H,1-2,6-9,11H2,3H3
InChIKeyZPMCHVIVKMIQLD-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.26
Rot. Bonds2

About [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-dimethylidene-λ6-sulfane

[4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-dimethylidene-λ6-sulfane (PubChem CID 144855096) has the molecular formula C16H23FN2S and a molecular weight of 294.44 g/mol. Its IUPAC name is [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-dimethylidene-λ6-sulfane.

Molecular Properties

Compound Name[4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-dimethylidene-λ6-sulfane
PubChem CID144855096
Molecular FormulaC16H23FN2S
Molecular Weight294.44 g/mol
Exact Mass294.16
IUPAC Name[4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-dimethylidene-λ6-sulfane
SMILESC=S(=C)(C)N1CCC(C2CNc3cc(F)ccc32)CC1
InChIInChI=1S/C16H23FN2S/c1-20(2,3)19-8-6-12(7-9-19)15-11-18-16-10-13(17)4-5-14(15)16/h4-5,10,12,15,18H,1-2,6-9,11H2,3H3
InChIKeyZPMCHVIVKMIQLD-UHFFFAOYSA-N
XLogP3.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-dimethylidene-λ6-sulfane with MolForge

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Related Compounds

6-fluoro-3-piperidin-4-yl-2,3-dihydro-1H-indole
CID 105475984
6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole
CID 112710647
6-fluoro-N-methyl-2,3-dihydro-1H-indol-3-amine
CID 84739527
6-chloro-3-piperidin-4-yl-2,3-dihydro-1H-indole
CID 105498634
8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84718205
6-fluoro-3,4-dimethyl-1,2,3,4-tetrahydroquinoline
CID 84618460
(4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 95240605
7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 54594245
tert-butyl 3-(5-fluoro-2,3-dihydro-1H-indol-3-yl)piperidine-1-carboxylate
CID 69459128
3-[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]pyrrolidin-3-yl]-5-fluoro-2,3-dihydro-1H-indole
CID 69447019
(3aS,10bR)-8-fluoro-5-methyl-1,2,3,3a,4,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one;hydrochloride
CID 67168432
7-fluoro-4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 105489446

Frequently Asked Questions

What is the IUPAC name of [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-dimethylidene-λ6-sulfane?
The IUPAC name of [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-dimethylidene-λ6-sulfane (CID 144855096) is [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-dimethylidene-λ6-sulfane.
What is the SMILES notation for [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-dimethylidene-λ6-sulfane?
The canonical SMILES for [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-dimethylidene-λ6-sulfane is C=S(=C)(C)N1CCC(C2CNc3cc(F)ccc32)CC1.
What is the InChIKey of [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-dimethylidene-λ6-sulfane?
The InChIKey is ZPMCHVIVKMIQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2S/c1-20(2,3)19-8-6-12(7-9-19)15-11-18-16-10-13(17)4-5-14(15)16/h4-5,10,12,15,18H,1-2,6-9,11H2,3H3.
What are the key properties of [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-dimethylidene-λ6-sulfane?
[4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-dimethylidene-λ6-sulfane has a molecular weight of 294.44 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-dimethylidene-λ6-sulfane is sourced from PubChem (CID 144855096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).