(S)-2-methyl-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]propane-2-sulfinamide

C11H19N3OS — CID 121397408

IUPAC(S)-2-methyl-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]propane-2-sulfinamide
SMILESCc1cnc([C@@H](C)N[S@@](=O)C(C)(C)C)cn1
InChIInChI=1S/C11H19N3OS/c1-8-6-13-10(7-12-8)9(2)14-16(15)11(3,4)5/h6-7,9,14H,1-5H3/t9-,16+/m1/s1
InChIKeyGBBATUJQTWSCHI-ABKXIKBNSA-N
MW241.36 g/mol
LogP1.90
Rot. Bonds3

About (S)-2-methyl-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]propane-2-sulfinamide

(S)-2-methyl-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]propane-2-sulfinamide (PubChem CID 121397408) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is (S)-2-methyl-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]propane-2-sulfinamide
PubChem CID121397408
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name(S)-2-methyl-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]propane-2-sulfinamide
SMILESCc1cnc([C@@H](C)N[S@@](=O)C(C)(C)C)cn1
InChIInChI=1S/C11H19N3OS/c1-8-6-13-10(7-12-8)9(2)14-16(15)11(3,4)5/h6-7,9,14H,1-5H3/t9-,16+/m1/s1
InChIKeyGBBATUJQTWSCHI-ABKXIKBNSA-N
XLogP1.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]propane-2-sulfinamide (CID 121397408) is (S)-2-methyl-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]propane-2-sulfinamide is Cc1cnc([C@@H](C)N[S@@](=O)C(C)(C)C)cn1.
What is the InChIKey of (S)-2-methyl-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]propane-2-sulfinamide?
The InChIKey is GBBATUJQTWSCHI-ABKXIKBNSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8-6-13-10(7-12-8)9(2)14-16(15)11(3,4)5/h6-7,9,14H,1-5H3/t9-,16+/m1/s1.
What are the key properties of (S)-2-methyl-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]propane-2-sulfinamide?
(S)-2-methyl-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]propane-2-sulfinamide has a molecular weight of 241.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 121397408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).