(2R)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methyl-3-methylsulfanylpropanamide

C14H23N3O3S2 — CID 124882355

IUPAC(2R)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methyl-3-methylsulfanylpropanamide
SMILESCSC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1
InChIInChI=1S/C14H23N3O3S2/c1-10(9-21-5)13(18)16-12-7-6-11(8-15-12)22(19,20)17-14(2,3)4/h6-8,10,17H,9H2,1-5H3,(H,15,16,18)/t10-/m0/s1
InChIKeyWNVPNJHXJDFJNP-JTQLQIEISA-N
MW345.49 g/mol
LogP2.10
Rot. Bonds6

About (2R)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methyl-3-methylsulfanylpropanamide

(2R)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methyl-3-methylsulfanylpropanamide (PubChem CID 124882355) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2R)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methyl-3-methylsulfanylpropanamide
PubChem CID124882355
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC Name(2R)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methyl-3-methylsulfanylpropanamide
SMILESCSC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1
InChIInChI=1S/C14H23N3O3S2/c1-10(9-21-5)13(18)16-12-7-6-11(8-15-12)22(19,20)17-14(2,3)4/h6-8,10,17H,9H2,1-5H3,(H,15,16,18)/t10-/m0/s1
InChIKeyWNVPNJHXJDFJNP-JTQLQIEISA-N
XLogP2.10
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methyl-3-methylsulfanylpropanamide?
The IUPAC name of (2R)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methyl-3-methylsulfanylpropanamide (CID 124882355) is (2R)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methyl-3-methylsulfanylpropanamide is CSC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1.
What is the InChIKey of (2R)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methyl-3-methylsulfanylpropanamide?
The InChIKey is WNVPNJHXJDFJNP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-10(9-21-5)13(18)16-12-7-6-11(8-15-12)22(19,20)17-14(2,3)4/h6-8,10,17H,9H2,1-5H3,(H,15,16,18)/t10-/m0/s1.
What are the key properties of (2R)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methyl-3-methylsulfanylpropanamide?
(2R)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methyl-3-methylsulfanylpropanamide has a molecular weight of 345.49 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 124882355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).