(S)-2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide

C8H16F3NOS — CID 138554176

IUPAC(S)-2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide
SMILESC[C@@H](CC(F)(F)F)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C8H16F3NOS/c1-6(5-8(9,10)11)12-14(13)7(2,3)4/h6,12H,5H2,1-4H3/t6-,14-/m0/s1
InChIKeyIDRUPGRMJQWFTD-MDAAJZPYSA-N
MW231.28 g/mol
LogP2.38
Rot. Bonds3

About (S)-2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide

(S)-2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide (PubChem CID 138554176) has the molecular formula C8H16F3NOS and a molecular weight of 231.28 g/mol. Its IUPAC name is (S)-2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide
PubChem CID138554176
Molecular FormulaC8H16F3NOS
Molecular Weight231.28 g/mol
Exact Mass231.09
IUPAC Name(S)-2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide
SMILESC[C@@H](CC(F)(F)F)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C8H16F3NOS/c1-6(5-8(9,10)11)12-14(13)7(2,3)4/h6,12H,5H2,1-4H3/t6-,14-/m0/s1
InChIKeyIDRUPGRMJQWFTD-MDAAJZPYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide
CID 11345967
2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide
CID 134920582
N-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 134964932
tert-butyl-oxido-[[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]amino]sulfanium
CID 134969143
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-((R)-1-cyclopropyl-2,2,2-trifluoroethyl)-2-methylpropane-2-sulfinamide
CID 56595193
(R)-N-((S)-1-Cyclopropyl-2,2,2-trifluoroethyl)-2-methylpropane-2-sulfinamide
CID 56595194
N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide
CID 59543142
N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 68669501
C9H16F3Nos
CID 76371182
2-Methyl-propane-2-sulfinic acid ((S)-3,3,3-trifluoro-1,2,2-trimethyl-propyl)-amide
CID 86659432

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide (CID 138554176) is (S)-2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide is C[C@@H](CC(F)(F)F)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide?
The InChIKey is IDRUPGRMJQWFTD-MDAAJZPYSA-N. The full InChI is InChI=1S/C8H16F3NOS/c1-6(5-8(9,10)11)12-14(13)7(2,3)4/h6,12H,5H2,1-4H3/t6-,14-/m0/s1.
What are the key properties of (S)-2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide?
(S)-2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide has a molecular weight of 231.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 138554176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).