(S)-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propane-2-sulfinamide

C15H20N2OS2 — CID 139254954

IUPAC(S)-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@@H](Cc1ccccc1)c1nccs1
InChIInChI=1S/C15H20N2OS2/c1-15(2,3)20(18)17-13(14-16-9-10-19-14)11-12-7-5-4-6-8-12/h4-10,13,17H,11H2,1-3H3/t13-,20-/m0/s1
InChIKeyHGGOXBYETHZXEC-RBZFPXEDSA-N
MW308.47 g/mol
LogP3.48
Rot. Bonds5

About (S)-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propane-2-sulfinamide

(S)-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propane-2-sulfinamide (PubChem CID 139254954) has the molecular formula C15H20N2OS2 and a molecular weight of 308.47 g/mol. Its IUPAC name is (S)-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propane-2-sulfinamide
PubChem CID139254954
Molecular FormulaC15H20N2OS2
Molecular Weight308.47 g/mol
Exact Mass308.10
IUPAC Name(S)-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@@H](Cc1ccccc1)c1nccs1
InChIInChI=1S/C15H20N2OS2/c1-15(2,3)20(18)17-13(14-16-9-10-19-14)11-12-7-5-4-6-8-12/h4-10,13,17H,11H2,1-3H3/t13-,20-/m0/s1
InChIKeyHGGOXBYETHZXEC-RBZFPXEDSA-N
XLogP3.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.48
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-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propane-2-sulfinamide (CID 139254954) is (S)-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propane-2-sulfinamide is CC(C)(C)[S@](=O)N[C@@H](Cc1ccccc1)c1nccs1.
What is the InChIKey of (S)-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propane-2-sulfinamide?
The InChIKey is HGGOXBYETHZXEC-RBZFPXEDSA-N. The full InChI is InChI=1S/C15H20N2OS2/c1-15(2,3)20(18)17-13(14-16-9-10-19-14)11-12-7-5-4-6-8-12/h4-10,13,17H,11H2,1-3H3/t13-,20-/m0/s1.
What are the key properties of (S)-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propane-2-sulfinamide?
(S)-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propane-2-sulfinamide has a molecular weight of 308.47 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 139254954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).