(R)-N-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide

C12H20F5NOS — CID 164536469

IUPAC(R)-N-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](C1CCCC(F)(F)C1)C(F)(F)F
InChIInChI=1S/C12H20F5NOS/c1-10(2,3)20(19)18-9(12(15,16)17)8-5-4-6-11(13,14)7-8/h8-9,18H,4-7H2,1-3H3/t8?,9-,20+/m0/s1
InChIKeyRTMFHDSLPNGVOD-VYVWOWTISA-N
MW321.36 g/mol
LogP3.79
Rot. Bonds3

About (R)-N-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (PubChem CID 164536469) has the molecular formula C12H20F5NOS and a molecular weight of 321.36 g/mol. Its IUPAC name is (R)-N-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
PubChem CID164536469
Molecular FormulaC12H20F5NOS
Molecular Weight321.36 g/mol
Exact Mass321.12
IUPAC Name(R)-N-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](C1CCCC(F)(F)C1)C(F)(F)F
InChIInChI=1S/C12H20F5NOS/c1-10(2,3)20(19)18-9(12(15,16)17)8-5-4-6-11(13,14)7-8/h8-9,18H,4-7H2,1-3H3/t8?,9-,20+/m0/s1
InChIKeyRTMFHDSLPNGVOD-VYVWOWTISA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (R)-N-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

(R)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 11369654
N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 134920322
2-methyl-N-[(2S)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide
CID 102258354
2-methyl-N-[(2R)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide
CID 102258356
(S)-N-[(1S)-1-(4,4-difluorocyclohexyl)prop-2-ynyl]-2-methylpropane-2-sulfinamide
CID 88055226
N-[1-(2,2-difluorocyclohexyl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 117761743
N-[(2S)-1-(4,4-difluorocyclohexyl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 117762255
(R)-N-[(2S)-1-(4,4-difluorocyclohexyl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 117762256
N-[1-(4,4-difluorocyclohexyl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 117762257
N-[1-(4,4-difluorocyclohexyl)prop-2-ynyl]-2-methylpropane-2-sulfinamide
CID 123606416
N-(4-ethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 132175521
N-tert-butylsulfanyl-2-(4,4-difluorocyclohexyl)ethanamine
CID 144763414

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (CID 164536469) is (R)-N-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H](C1CCCC(F)(F)C1)C(F)(F)F.
What is the InChIKey of (R)-N-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is RTMFHDSLPNGVOD-VYVWOWTISA-N. The full InChI is InChI=1S/C12H20F5NOS/c1-10(2,3)20(19)18-9(12(15,16)17)8-5-4-6-11(13,14)7-8/h8-9,18H,4-7H2,1-3H3/t8?,9-,20+/m0/s1.
What are the key properties of (R)-N-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 321.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-(3,3-difluorocyclohexyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 164536469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).