(R)-N-[(1S)-2,2,2-trideuterio-1-(2-methylsulfonyl-4-pyridinyl)ethyl]methanesulfinamide

C9H14N2O3S2 — CID 59278081

IUPAC(R)-N-[(1S)-2,2,2-trideuterio-1-(2-methylsulfonyl-4-pyridinyl)ethyl]methanesulfinamide
SMILES[2H]C([2H])([2H])[C@H](N[S@@](C)=O)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C9H14N2O3S2/c1-7(11-15(2)12)8-4-5-10-9(6-8)16(3,13)14/h4-7,11H,1-3H3/t7-,15+/m0/s1/i1D3
InChIKeyMUVRVNXHPMVNQJ-WDKHXVDLSA-N
MW265.37 g/mol
LogP0.43
Rot. Bonds5

About (R)-N-[(1S)-2,2,2-trideuterio-1-(2-methylsulfonyl-4-pyridinyl)ethyl]methanesulfinamide

(R)-N-[(1S)-2,2,2-trideuterio-1-(2-methylsulfonyl-4-pyridinyl)ethyl]methanesulfinamide (PubChem CID 59278081) has the molecular formula C9H14N2O3S2 and a molecular weight of 265.37 g/mol. Its IUPAC name is (R)-N-[(1S)-2,2,2-trideuterio-1-(2-methylsulfonyl-4-pyridinyl)ethyl]methanesulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-2,2,2-trideuterio-1-(2-methylsulfonyl-4-pyridinyl)ethyl]methanesulfinamide
PubChem CID59278081
Molecular FormulaC9H14N2O3S2
Molecular Weight265.37 g/mol
Exact Mass265.06
IUPAC Name(R)-N-[(1S)-2,2,2-trideuterio-1-(2-methylsulfonyl-4-pyridinyl)ethyl]methanesulfinamide
SMILES[2H]C([2H])([2H])[C@H](N[S@@](C)=O)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C9H14N2O3S2/c1-7(11-15(2)12)8-4-5-10-9(6-8)16(3,13)14/h4-7,11H,1-3H3/t7-,15+/m0/s1/i1D3
InChIKeyMUVRVNXHPMVNQJ-WDKHXVDLSA-N
XLogP0.43
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-2,2,2-trideuterio-1-(2-methylsulfonyl-4-pyridinyl)ethyl]methanesulfinamide?
The IUPAC name of (R)-N-[(1S)-2,2,2-trideuterio-1-(2-methylsulfonyl-4-pyridinyl)ethyl]methanesulfinamide (CID 59278081) is (R)-N-[(1S)-2,2,2-trideuterio-1-(2-methylsulfonyl-4-pyridinyl)ethyl]methanesulfinamide.
What is the SMILES notation for (R)-N-[(1S)-2,2,2-trideuterio-1-(2-methylsulfonyl-4-pyridinyl)ethyl]methanesulfinamide?
The canonical SMILES for (R)-N-[(1S)-2,2,2-trideuterio-1-(2-methylsulfonyl-4-pyridinyl)ethyl]methanesulfinamide is [2H]C([2H])([2H])[C@H](N[S@@](C)=O)c1ccnc(S(C)(=O)=O)c1.
What is the InChIKey of (R)-N-[(1S)-2,2,2-trideuterio-1-(2-methylsulfonyl-4-pyridinyl)ethyl]methanesulfinamide?
The InChIKey is MUVRVNXHPMVNQJ-WDKHXVDLSA-N. The full InChI is InChI=1S/C9H14N2O3S2/c1-7(11-15(2)12)8-4-5-10-9(6-8)16(3,13)14/h4-7,11H,1-3H3/t7-,15+/m0/s1/i1D3.
What are the key properties of (R)-N-[(1S)-2,2,2-trideuterio-1-(2-methylsulfonyl-4-pyridinyl)ethyl]methanesulfinamide?
(R)-N-[(1S)-2,2,2-trideuterio-1-(2-methylsulfonyl-4-pyridinyl)ethyl]methanesulfinamide has a molecular weight of 265.37 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-2,2,2-trideuterio-1-(2-methylsulfonyl-4-pyridinyl)ethyl]methanesulfinamide is sourced from PubChem (CID 59278081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).