cyclohexyl-methyl-(3-oxo-1,2-dihydroinden-2-yl)sulfanium

C16H21OS+ — CID 22974589

IUPACcyclohexyl-methyl-(3-oxo-1,2-dihydroinden-2-yl)sulfanium
SMILESC[S+](C1CCCCC1)C1Cc2ccccc2C1=O
InChIInChI=1S/C16H21OS/c1-18(13-8-3-2-4-9-13)15-11-12-7-5-6-10-14(12)16(15)17/h5-7,10,13,15H,2-4,8-9,11H2,1H3/q+1
InChIKeySHBCYFCZFYMUKB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.37
Rot. Bonds2

About cyclohexyl-methyl-(3-oxo-1,2-dihydroinden-2-yl)sulfanium

cyclohexyl-methyl-(3-oxo-1,2-dihydroinden-2-yl)sulfanium (PubChem CID 22974589) has the molecular formula C16H21OS+ and a molecular weight of 261.41 g/mol. Its IUPAC name is cyclohexyl-methyl-(3-oxo-1,2-dihydroinden-2-yl)sulfanium.

Molecular Properties

Compound Namecyclohexyl-methyl-(3-oxo-1,2-dihydroinden-2-yl)sulfanium
PubChem CID22974589
Molecular FormulaC16H21OS+
Molecular Weight261.41 g/mol
Exact Mass261.13
IUPAC Namecyclohexyl-methyl-(3-oxo-1,2-dihydroinden-2-yl)sulfanium
SMILESC[S+](C1CCCCC1)C1Cc2ccccc2C1=O
InChIInChI=1S/C16H21OS/c1-18(13-8-3-2-4-9-13)15-11-12-7-5-6-10-14(12)16(15)17/h5-7,10,13,15H,2-4,8-9,11H2,1H3/q+1
InChIKeySHBCYFCZFYMUKB-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclohexyl-methyl-(3-oxo-1,2-dihydroinden-2-yl)sulfanium 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-(cyclohexylamino)-2,3-dihydroinden-1-one
CID 145356897
(2S)-2-methyl-2,3-dihydroinden-1-one
CID 6994407
8-methyl-8-(1-methylcyclononyl)-6,7,9,10,10a,11-hexahydro-5aH-cyclohepta[b]naphthalen-5-one
CID 90983152
(2R)-2-hydroxy-2,3-dihydroinden-1-one
CID 11137320
2-(methoxymethyl)-2,3-dihydroinden-1-one
CID 71409050
(2aS,8aS)-8a-methyl-1,2,2a,8-tetrahydrocyclobuta[b]naphthalen-3-one
CID 10330073
(2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one
CID 910021
(2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 11139739
(3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one
CID 169445455
2-(oxan-2-ylmethyl)-2,3-dihydroinden-1-one
CID 79428633
2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 70423152
dimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium
CID 22974592

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-methyl-(3-oxo-1,2-dihydroinden-2-yl)sulfanium?
The IUPAC name of cyclohexyl-methyl-(3-oxo-1,2-dihydroinden-2-yl)sulfanium (CID 22974589) is cyclohexyl-methyl-(3-oxo-1,2-dihydroinden-2-yl)sulfanium.
What is the SMILES notation for cyclohexyl-methyl-(3-oxo-1,2-dihydroinden-2-yl)sulfanium?
The canonical SMILES for cyclohexyl-methyl-(3-oxo-1,2-dihydroinden-2-yl)sulfanium is C[S+](C1CCCCC1)C1Cc2ccccc2C1=O.
What is the InChIKey of cyclohexyl-methyl-(3-oxo-1,2-dihydroinden-2-yl)sulfanium?
The InChIKey is SHBCYFCZFYMUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21OS/c1-18(13-8-3-2-4-9-13)15-11-12-7-5-6-10-14(12)16(15)17/h5-7,10,13,15H,2-4,8-9,11H2,1H3/q+1.
What are the key properties of cyclohexyl-methyl-(3-oxo-1,2-dihydroinden-2-yl)sulfanium?
cyclohexyl-methyl-(3-oxo-1,2-dihydroinden-2-yl)sulfanium has a molecular weight of 261.41 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-methyl-(3-oxo-1,2-dihydroinden-2-yl)sulfanium is sourced from PubChem (CID 22974589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).