(R)-N-[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethyl]-2-methylpropane-2-sulfinamide;(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran

C19H35NO3S — CID 167691382

IUPAC(R)-N-[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethyl]-2-methylpropane-2-sulfinamide;(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran
SMILESCC(C)C1CCC=CO1.C[C@@H](N[S@](=O)C(C)(C)C)[C@@H]1CCC=CO1
InChIInChI=1S/C11H21NO2S.C8H14O/c1-9(10-7-5-6-8-14-10)12-15(13)11(2,3)4;1-7(2)8-5-3-4-6-9-8/h6,8-10,12H,5,7H2,1-4H3;4,6-8H,3,5H2,1-2H3/t9-,10+,15-;/m1./s1
InChIKeyWZRJEFNNRHHJBR-XFWMPKSUSA-N
MW357.56 g/mol
LogP4.45
Rot. Bonds4

About (R)-N-[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethyl]-2-methylpropane-2-sulfinamide;(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran

(R)-N-[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethyl]-2-methylpropane-2-sulfinamide;(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran (PubChem CID 167691382) has the molecular formula C19H35NO3S and a molecular weight of 357.56 g/mol. Its IUPAC name is (R)-N-[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethyl]-2-methylpropane-2-sulfinamide;(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(R)-N-[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethyl]-2-methylpropane-2-sulfinamide;(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran
PubChem CID167691382
Molecular FormulaC19H35NO3S
Molecular Weight357.56 g/mol
Exact Mass357.23
IUPAC Name(R)-N-[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethyl]-2-methylpropane-2-sulfinamide;(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran
SMILESCC(C)C1CCC=CO1.C[C@@H](N[S@](=O)C(C)(C)C)[C@@H]1CCC=CO1
InChIInChI=1S/C11H21NO2S.C8H14O/c1-9(10-7-5-6-8-14-10)12-15(13)11(2,3)4;1-7(2)8-5-3-4-6-9-8/h6,8-10,12H,5,7H2,1-4H3;4,6-8H,3,5H2,1-2H3/t9-,10+,15-;/m1./s1
InChIKeyWZRJEFNNRHHJBR-XFWMPKSUSA-N
XLogP4.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.56
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (R)-N-[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethyl]-2-methylpropane-2-sulfinamide;(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran with MolForge

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethyl]-2-methylpropane-2-sulfinamide;(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran?
The IUPAC name of (R)-N-[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethyl]-2-methylpropane-2-sulfinamide;(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran (CID 167691382) is (R)-N-[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethyl]-2-methylpropane-2-sulfinamide;(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran.
What is the SMILES notation for (R)-N-[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethyl]-2-methylpropane-2-sulfinamide;(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran?
The canonical SMILES for (R)-N-[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethyl]-2-methylpropane-2-sulfinamide;(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran is CC(C)C1CCC=CO1.C[C@@H](N[S@](=O)C(C)(C)C)[C@@H]1CCC=CO1.
What is the InChIKey of (R)-N-[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethyl]-2-methylpropane-2-sulfinamide;(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran?
The InChIKey is WZRJEFNNRHHJBR-XFWMPKSUSA-N. The full InChI is InChI=1S/C11H21NO2S.C8H14O/c1-9(10-7-5-6-8-14-10)12-15(13)11(2,3)4;1-7(2)8-5-3-4-6-9-8/h6,8-10,12H,5,7H2,1-4H3;4,6-8H,3,5H2,1-2H3/t9-,10+,15-;/m1./s1.
What are the key properties of (R)-N-[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethyl]-2-methylpropane-2-sulfinamide;(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran?
(R)-N-[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethyl]-2-methylpropane-2-sulfinamide;(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran has a molecular weight of 357.56 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethyl]-2-methylpropane-2-sulfinamide;(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 167691382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).