N-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide

C10H21F2NOS — CID 134964932

IUPACN-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[C@@H](NS(=O)C(C)(C)C)C(F)F
InChIInChI=1S/C10H21F2NOS/c1-9(2,3)7(8(11)12)13-15(14)10(4,5)6/h7-8,13H,1-6H3/t7-,15?/m0/s1
InChIKeyDGQNGPBSIHUYJC-CIFJEQONSA-N
MW241.35 g/mol
LogP2.72
Rot. Bonds3

About N-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide

N-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 134964932) has the molecular formula C10H21F2NOS and a molecular weight of 241.35 g/mol. Its IUPAC name is N-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID134964932
Molecular FormulaC10H21F2NOS
Molecular Weight241.35 g/mol
Exact Mass241.13
IUPAC NameN-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[C@@H](NS(=O)C(C)(C)C)C(F)F
InChIInChI=1S/C10H21F2NOS/c1-9(2,3)7(8(11)12)13-15(14)10(4,5)6/h7-8,13H,1-6H3/t7-,15?/m0/s1
InChIKeyDGQNGPBSIHUYJC-CIFJEQONSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 52.72
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
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
(S)-2-methyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide
CID 123749641
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 N-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide (CID 134964932) is N-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[C@@H](NS(=O)C(C)(C)C)C(F)F.
What is the InChIKey of N-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is DGQNGPBSIHUYJC-CIFJEQONSA-N. The full InChI is InChI=1S/C10H21F2NOS/c1-9(2,3)7(8(11)12)13-15(14)10(4,5)6/h7-8,13H,1-6H3/t7-,15?/m0/s1.
What are the key properties of N-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide?
N-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 241.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134964932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).