(S)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide

C10H22N2O2S — CID 163824145

IUPAC(S)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@]1(C)CCOC[C@@H]1N
InChIInChI=1S/C10H22N2O2S/c1-9(2,3)15(13)12-10(4)5-6-14-7-8(10)11/h8,12H,5-7,11H2,1-4H3/t8-,10+,15-/m0/s1
InChIKeyNXYWOFFPMYBQRF-FLBPPNCPSA-N
MW234.36 g/mol
LogP0.54
Rot. Bonds2

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

(S)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 163824145) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is (S)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID163824145
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name(S)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@]1(C)CCOC[C@@H]1N
InChIInChI=1S/C10H22N2O2S/c1-9(2,3)15(13)12-10(4)5-6-14-7-8(10)11/h8,12H,5-7,11H2,1-4H3/t8-,10+,15-/m0/s1
InChIKeyNXYWOFFPMYBQRF-FLBPPNCPSA-N
XLogP0.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-N-[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]-2-methylpropane-2-sulfinamide
CID 121422071
[[(3R,4R)-3-amino-4-(difluoromethyl)oxan-4-yl]amino]-tert-butyl-oxidosulfanium
CID 173638862
2-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide
CID 67033559
2-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide
CID 67033650
(S)-2-methyl-N-((R)-1-(tetrahydro-2H-pyran-4-yl)ethyl)propane-2-sulfinamide
CID 67034308
(R)-2-methyl-N-((S)-1-(tetrahydro-2H-pyran-4-yl)ethyl)propane-2-sulfinamide
CID 67221812
2-methyl-N-[1-(oxan-4-yl)ethyl]propane-2-sulfinamide
CID 77242937
(R)-2-methyl-N-(1-(tetrahydro-2H-pyran-4-yl)ethyl)Propane-2-sulfinamide
CID 89739114
(R)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide
CID 121422085
(S)-2-methyl-N-[1-(oxan-4-yl)ethyl]propane-2-sulfinamide
CID 122625775
2-methyl-N-(oxan-3-yl)propane-2-sulfonamide
CID 134166276
[[(3R,4R)-3-amino-4-methyloxan-4-yl]amino]-tert-butyl-oxidosulfanium
CID 173638865

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide (CID 163824145) is (S)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)N[C@]1(C)CCOC[C@@H]1N.
What is the InChIKey of (S)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is NXYWOFFPMYBQRF-FLBPPNCPSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9(2,3)15(13)12-10(4)5-6-14-7-8(10)11/h8,12H,5-7,11H2,1-4H3/t8-,10+,15-/m0/s1.
What are the key properties of (S)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide?
(S)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 234.36 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 163824145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).