(R)-2-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]propane-2-sulfinamide

C13H22N2O3S2 — CID 59278365

IUPAC(R)-2-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]propane-2-sulfinamide
SMILESCC[C@H](N[S@](=O)C(C)(C)C)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C13H22N2O3S2/c1-6-11(15-19(16)13(2,3)4)10-7-8-14-12(9-10)20(5,17)18/h7-9,11,15H,6H2,1-5H3/t11-,19+/m0/s1
InChIKeyGWWFSYRLFDKVCC-JEOXALJRSA-N
MW318.46 g/mol
LogP1.99
Rot. Bonds5

About (R)-2-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]propane-2-sulfinamide (PubChem CID 59278365) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]propane-2-sulfinamide
PubChem CID59278365
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name(R)-2-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]propane-2-sulfinamide
SMILESCC[C@H](N[S@](=O)C(C)(C)C)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C13H22N2O3S2/c1-6-11(15-19(16)13(2,3)4)10-7-8-14-12(9-10)20(5,17)18/h7-9,11,15H,6H2,1-5H3/t11-,19+/m0/s1
InChIKeyGWWFSYRLFDKVCC-JEOXALJRSA-N
XLogP1.99
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]propane-2-sulfinamide (CID 59278365) is (R)-2-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]propane-2-sulfinamide is CC[C@H](N[S@](=O)C(C)(C)C)c1ccnc(S(C)(=O)=O)c1.
What is the InChIKey of (R)-2-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]propane-2-sulfinamide?
The InChIKey is GWWFSYRLFDKVCC-JEOXALJRSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-6-11(15-19(16)13(2,3)4)10-7-8-14-12(9-10)20(5,17)18/h7-9,11,15H,6H2,1-5H3/t11-,19+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]propane-2-sulfinamide has a molecular weight of 318.46 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]propane-2-sulfinamide is sourced from PubChem (CID 59278365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).