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

C9H19F2NOS — CID 178172329

IUPAC(S)-N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)[C@@H](N[S@@](=O)C(C)(C)C)C(F)F
InChIInChI=1S/C9H19F2NOS/c1-6(2)7(8(10)11)12-14(13)9(3,4)5/h6-8,12H,1-5H3/t7-,14+/m1/s1
InChIKeyWPWITUQWVHDVKO-UOWDBTKRSA-N
MW227.32 g/mol
LogP2.33
Rot. Bonds4

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

(S)-N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 178172329) has the molecular formula C9H19F2NOS and a molecular weight of 227.32 g/mol. Its IUPAC name is (S)-N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID178172329
Molecular FormulaC9H19F2NOS
Molecular Weight227.32 g/mol
Exact Mass227.12
IUPAC Name(S)-N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)[C@@H](N[S@@](=O)C(C)(C)C)C(F)F
InChIInChI=1S/C9H19F2NOS/c1-6(2)7(8(10)11)12-14(13)9(3,4)5/h6-8,12H,1-5H3/t7-,14+/m1/s1
InChIKeyWPWITUQWVHDVKO-UOWDBTKRSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.33
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
(R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]propane-2-sulfinamide
CID 10976321
(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
(S)-2-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propane-2-sulfinamide
CID 87159547

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide (CID 178172329) is (S)-N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide is CC(C)[C@@H](N[S@@](=O)C(C)(C)C)C(F)F.
What is the InChIKey of (S)-N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is WPWITUQWVHDVKO-UOWDBTKRSA-N. The full InChI is InChI=1S/C9H19F2NOS/c1-6(2)7(8(10)11)12-14(13)9(3,4)5/h6-8,12H,1-5H3/t7-,14+/m1/s1.
What are the key properties of (S)-N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide?
(S)-N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 227.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 178172329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).