1-cyclohexyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]methanesulfonamide

C16H22FNO2S2 — CID 95733837

IUPAC1-cyclohexyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]methanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)N[C@@H]1CCSc2ccc(F)cc21
InChIInChI=1S/C16H22FNO2S2/c17-13-6-7-16-14(10-13)15(8-9-21-16)18-22(19,20)11-12-4-2-1-3-5-12/h6-7,10,12,15,18H,1-5,8-9,11H2/t15-/m1/s1
InChIKeyQMTDRFVQGODXTR-OAHLLOKOSA-N
MW343.49 g/mol
LogP3.86
Rot. Bonds4

About 1-cyclohexyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]methanesulfonamide

1-cyclohexyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]methanesulfonamide (PubChem CID 95733837) has the molecular formula C16H22FNO2S2 and a molecular weight of 343.49 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]methanesulfonamide
PubChem CID95733837
Molecular FormulaC16H22FNO2S2
Molecular Weight343.49 g/mol
Exact Mass343.11
IUPAC Name1-cyclohexyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]methanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)N[C@@H]1CCSc2ccc(F)cc21
InChIInChI=1S/C16H22FNO2S2/c17-13-6-7-16-14(10-13)15(8-9-21-16)18-22(19,20)11-12-4-2-1-3-5-12/h6-7,10,12,15,18H,1-5,8-9,11H2/t15-/m1/s1
InChIKeyQMTDRFVQGODXTR-OAHLLOKOSA-N
XLogP3.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenylmethanesulfonamide
CID 26541560
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide
CID 47371952
1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea
CID 94453338
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-nitrobenzenesulfonamide
CID 51249468
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2,4-dimethylbenzenesulfonamide
CID 42887686
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26468741
dimethyl 5-[[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]benzene-1,3-dicarboxylate
CID 26541547
[4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexyl]methanol
CID 71915733
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-piperidin-3-ylacetamide
CID 62674703
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide
CID 47121350
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-hydroxyphenyl)acetamide
CID 78820326

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]methanesulfonamide (CID 95733837) is 1-cyclohexyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]methanesulfonamide is O=S(=O)(CC1CCCCC1)N[C@@H]1CCSc2ccc(F)cc21.
What is the InChIKey of 1-cyclohexyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]methanesulfonamide?
The InChIKey is QMTDRFVQGODXTR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22FNO2S2/c17-13-6-7-16-14(10-13)15(8-9-21-16)18-22(19,20)11-12-4-2-1-3-5-12/h6-7,10,12,15,18H,1-5,8-9,11H2/t15-/m1/s1.
What are the key properties of 1-cyclohexyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]methanesulfonamide?
1-cyclohexyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]methanesulfonamide has a molecular weight of 343.49 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]methanesulfonamide is sourced from PubChem (CID 95733837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).