1,1-dioxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide

C12H20F3NO4S2 — CID 52536545

IUPAC1,1-dioxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO4S2/c13-12(14,15)10-3-1-2-4-11(10)16-22(19,20)9-5-7-21(17,18)8-6-9/h9-11,16H,1-8H2/t10-,11+/m1/s1
InChIKeyGCPYAEFAOFIJJQ-MNOVXSKESA-N
MW363.42 g/mol
LogP1.60
Rot. Bonds3

About 1,1-dioxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide

1,1-dioxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide (PubChem CID 52536545) has the molecular formula C12H20F3NO4S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1,1-dioxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide
PubChem CID52536545
Molecular FormulaC12H20F3NO4S2
Molecular Weight363.42 g/mol
Exact Mass363.08
IUPAC Name1,1-dioxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO4S2/c13-12(14,15)10-3-1-2-4-11(10)16-22(19,20)9-5-7-21(17,18)8-6-9/h9-11,16H,1-8H2/t10-,11+/m1/s1
InChIKeyGCPYAEFAOFIJJQ-MNOVXSKESA-N
XLogP1.60
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dioxo-N-[2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide
CID 51133233
1,1-dioxo-N-(4-propylcyclohexyl)thiane-4-sulfonamide
CID 53619660
1,1-dioxo-N-[2-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43730757
1,1-dioxo-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide
CID 52536546
1,1-dioxo-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide
CID 52536547
1,1-dioxo-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide
CID 52536548
N-[2-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
CID 61355849
N-[2-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61355850
N-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
CID 61383798
1,1-dioxo-N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 63923408
2-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 91643439
1-(4,4-Difluorocyclohexyl)-4-methylsulfonylbutan-1-amine
CID 105113392

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide?
The IUPAC name of 1,1-dioxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide (CID 52536545) is 1,1-dioxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide.
What is the SMILES notation for 1,1-dioxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide?
The canonical SMILES for 1,1-dioxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide is O=S1(=O)CCC(S(=O)(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)CC1.
What is the InChIKey of 1,1-dioxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide?
The InChIKey is GCPYAEFAOFIJJQ-MNOVXSKESA-N. The full InChI is InChI=1S/C12H20F3NO4S2/c13-12(14,15)10-3-1-2-4-11(10)16-22(19,20)9-5-7-21(17,18)8-6-9/h9-11,16H,1-8H2/t10-,11+/m1/s1.
What are the key properties of 1,1-dioxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide?
1,1-dioxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide has a molecular weight of 363.42 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide is sourced from PubChem (CID 52536545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).