(R)-N-[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]-2-methylpropane-2-sulfinamide

C10H20F2N2O2S — CID 121422071

IUPAC(R)-N-[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@]1(C(F)F)CCOC[C@@H]1N
InChIInChI=1S/C10H20F2N2O2S/c1-9(2,3)17(15)14-10(8(11)12)4-5-16-6-7(10)13/h7-8,14H,4-6,13H2,1-3H3/t7-,10+,17+/m0/s1
InChIKeyZWLPHBWDZIPGJG-CUSKQWCESA-N
MW270.34 g/mol
LogP0.79
Rot. Bonds3

About (R)-N-[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 121422071) has the molecular formula C10H20F2N2O2S and a molecular weight of 270.34 g/mol. Its IUPAC name is (R)-N-[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID121422071
Molecular FormulaC10H20F2N2O2S
Molecular Weight270.34 g/mol
Exact Mass270.12
IUPAC Name(R)-N-[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@]1(C(F)F)CCOC[C@@H]1N
InChIInChI=1S/C10H20F2N2O2S/c1-9(2,3)17(15)14-10(8(11)12)4-5-16-6-7(10)13/h7-8,14H,4-6,13H2,1-3H3/t7-,10+,17+/m0/s1
InChIKeyZWLPHBWDZIPGJG-CUSKQWCESA-N
XLogP0.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]amino]-tert-butyl-oxidosulfanium
CID 173638862
N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106297743
(R)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide
CID 121422085
(S)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide
CID 163824145
[[(3R,4R)-3-amino-4-methyloxan-4-yl]amino]-tert-butyl-oxidosulfanium
CID 173638865

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]-2-methylpropane-2-sulfinamide (CID 121422071) is (R)-N-[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@]1(C(F)F)CCOC[C@@H]1N.
What is the InChIKey of (R)-N-[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is ZWLPHBWDZIPGJG-CUSKQWCESA-N. The full InChI is InChI=1S/C10H20F2N2O2S/c1-9(2,3)17(15)14-10(8(11)12)4-5-16-6-7(10)13/h7-8,14H,4-6,13H2,1-3H3/t7-,10+,17+/m0/s1.
What are the key properties of (R)-N-[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 270.34 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 121422071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).