(2S)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methylsulfanylbutanamide

C14H23N3O3S2 — CID 124882199

IUPAC(2S)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methylsulfanylbutanamide
SMILESCC[C@H](SC)C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1
InChIInChI=1S/C14H23N3O3S2/c1-6-11(21-5)13(18)16-12-8-7-10(9-15-12)22(19,20)17-14(2,3)4/h7-9,11,17H,6H2,1-5H3,(H,15,16,18)/t11-/m0/s1
InChIKeyOJBDYMORFSFJTO-NSHDSACASA-N
MW345.49 g/mol
LogP2.24
Rot. Bonds6

About (2S)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methylsulfanylbutanamide

(2S)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methylsulfanylbutanamide (PubChem CID 124882199) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2S)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methylsulfanylbutanamide
PubChem CID124882199
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC Name(2S)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methylsulfanylbutanamide
SMILESCC[C@H](SC)C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1
InChIInChI=1S/C14H23N3O3S2/c1-6-11(21-5)13(18)16-12-8-7-10(9-15-12)22(19,20)17-14(2,3)4/h7-9,11,17H,6H2,1-5H3,(H,15,16,18)/t11-/m0/s1
InChIKeyOJBDYMORFSFJTO-NSHDSACASA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methyl-3-methylsulfanylpropanamide
CID 124882355
4-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoylamino]butanoic acid
CID 122090456
N-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide
CID 98018239
N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide
CID 154779474
1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 122090461
2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122060999
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide
CID 94031927
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide
CID 23801442
N-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide
CID 112806919
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-(oxolan-3-yl)benzamide
CID 139004733
N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
CID 4992549

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methylsulfanylbutanamide?
The IUPAC name of (2S)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methylsulfanylbutanamide (CID 124882199) is (2S)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methylsulfanylbutanamide?
The canonical SMILES for (2S)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methylsulfanylbutanamide is CC[C@H](SC)C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1.
What is the InChIKey of (2S)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methylsulfanylbutanamide?
The InChIKey is OJBDYMORFSFJTO-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-6-11(21-5)13(18)16-12-8-7-10(9-15-12)22(19,20)17-14(2,3)4/h7-9,11,17H,6H2,1-5H3,(H,15,16,18)/t11-/m0/s1.
What are the key properties of (2S)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methylsulfanylbutanamide?
(2S)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methylsulfanylbutanamide has a molecular weight of 345.49 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-2-methylsulfanylbutanamide is sourced from PubChem (CID 124882199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).