(S)-2-methyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide

C10H20F3NOS — CID 123749641

IUPAC(S)-2-methyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide
SMILESCC(N[S@@](=O)C(C)(C)C)C(C)(C)C(F)(F)F
InChIInChI=1S/C10H20F3NOS/c1-7(9(5,6)10(11,12)13)14-16(15)8(2,3)4/h7,14H,1-6H3/t7?,16-/m0/s1
InChIKeyLIOAPDZUVLTGLK-CGGQJNRTSA-N
MW259.34 g/mol
LogP3.02
Rot. Bonds3

About (S)-2-methyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide

(S)-2-methyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide (PubChem CID 123749641) has the molecular formula C10H20F3NOS and a molecular weight of 259.34 g/mol. Its IUPAC name is (S)-2-methyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide
PubChem CID123749641
Molecular FormulaC10H20F3NOS
Molecular Weight259.34 g/mol
Exact Mass259.12
IUPAC Name(S)-2-methyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide
SMILESCC(N[S@@](=O)C(C)(C)C)C(C)(C)C(F)(F)F
InChIInChI=1S/C10H20F3NOS/c1-7(9(5,6)10(11,12)13)14-16(15)8(2,3)4/h7,14H,1-6H3/t7?,16-/m0/s1
InChIKeyLIOAPDZUVLTGLK-CGGQJNRTSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.02
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-propane-2-sulfinic acid ((S)-3,3,3-trifluoro-1,2,2-trimethyl-propyl)-amide
CID 86659432
(S)-2-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propane-2-sulfinamide
CID 87159547
(R)-2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]propane-2-sulfinamide
CID 87159616
(R)-2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide
CID 87159671
N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide
CID 87159674
2-methyl-N-(1,1,1-trifluoropropan-2-yl)propane-2-sulfinamide
CID 122577717
N-[(R)-1-(Trifluoromethyl)ethyl]-2-methylpropane-2-sulfinamide
CID 132504791
2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide
CID 134348721

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide (CID 123749641) is (S)-2-methyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide is CC(N[S@@](=O)C(C)(C)C)C(C)(C)C(F)(F)F.
What is the InChIKey of (S)-2-methyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide?
The InChIKey is LIOAPDZUVLTGLK-CGGQJNRTSA-N. The full InChI is InChI=1S/C10H20F3NOS/c1-7(9(5,6)10(11,12)13)14-16(15)8(2,3)4/h7,14H,1-6H3/t7?,16-/m0/s1.
What are the key properties of (S)-2-methyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide?
(S)-2-methyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide has a molecular weight of 259.34 g/mol, XLogP of 3.02, 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-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide is sourced from PubChem (CID 123749641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).