(S)-N-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide

C11H20F3NOS — CID 45378608

IUPAC(S)-N-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide
SMILESCC(C)[S@](=O)N[C@H](C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NOS/c1-8(2)17(16)15-10(11(12,13)14)9-6-4-3-5-7-9/h8-10,15H,3-7H2,1-2H3/t10-,17+/m1/s1
InChIKeyKJXLWLUYZAHPCU-QGHHPUGFSA-N
MW271.35 g/mol
LogP3.16
Rot. Bonds4

About (S)-N-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide

(S)-N-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide (PubChem CID 45378608) has the molecular formula C11H20F3NOS and a molecular weight of 271.35 g/mol. Its IUPAC name is (S)-N-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide
PubChem CID45378608
Molecular FormulaC11H20F3NOS
Molecular Weight271.35 g/mol
Exact Mass271.12
IUPAC Name(S)-N-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide
SMILESCC(C)[S@](=O)N[C@H](C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NOS/c1-8(2)17(16)15-10(11(12,13)14)9-6-4-3-5-7-9/h8-10,15H,3-7H2,1-2H3/t10-,17+/m1/s1
InChIKeyKJXLWLUYZAHPCU-QGHHPUGFSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-methylpropane-2-sulfinamide
CID 70842042
1-cyclohexyl-N-ethyl-2,2,2-trifluoroethanamine
CID 66205359
(1-cyclohexyl-2,2,2-trifluoroethyl)thiourea
CID 54395260
1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 99621484
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99620922
N-(1-cyclohexyl-2,2,2-trifluoroethyl)aniline
CID 11076093
N-[1-(azetidin-3-yl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 172624090
1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103311643
1-cyclohexylethanesulfinic acid
CID 67735332
N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 54121121
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
3-cyclohexyl-2-methylbutane-2-sulfinamide
CID 89464801

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide?
The IUPAC name of (S)-N-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide (CID 45378608) is (S)-N-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide is CC(C)[S@](=O)N[C@H](C1CCCCC1)C(F)(F)F.
What is the InChIKey of (S)-N-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide?
The InChIKey is KJXLWLUYZAHPCU-QGHHPUGFSA-N. The full InChI is InChI=1S/C11H20F3NOS/c1-8(2)17(16)15-10(11(12,13)14)9-6-4-3-5-7-9/h8-10,15H,3-7H2,1-2H3/t10-,17+/m1/s1.
What are the key properties of (S)-N-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide?
(S)-N-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide has a molecular weight of 271.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide is sourced from PubChem (CID 45378608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).