2-methyl-N-(pyridin-3-ylmethylsulfonyl)-2-(1,2-thiazol-5-yl)propanamide

C13H15N3O3S2 — CID 167793807

IUPAC2-methyl-N-(pyridin-3-ylmethylsulfonyl)-2-(1,2-thiazol-5-yl)propanamide
SMILESCC(C)(C(=O)NS(=O)(=O)Cc1cccnc1)c1ccns1
InChIInChI=1S/C13H15N3O3S2/c1-13(2,11-5-7-15-20-11)12(17)16-21(18,19)9-10-4-3-6-14-8-10/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyRLLMOZSDGCTIMW-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.46
Rot. Bonds5

About 2-methyl-N-(pyridin-3-ylmethylsulfonyl)-2-(1,2-thiazol-5-yl)propanamide

2-methyl-N-(pyridin-3-ylmethylsulfonyl)-2-(1,2-thiazol-5-yl)propanamide (PubChem CID 167793807) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-3-ylmethylsulfonyl)-2-(1,2-thiazol-5-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(pyridin-3-ylmethylsulfonyl)-2-(1,2-thiazol-5-yl)propanamide
PubChem CID167793807
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name2-methyl-N-(pyridin-3-ylmethylsulfonyl)-2-(1,2-thiazol-5-yl)propanamide
SMILESCC(C)(C(=O)NS(=O)(=O)Cc1cccnc1)c1ccns1
InChIInChI=1S/C13H15N3O3S2/c1-13(2,11-5-7-15-20-11)12(17)16-21(18,19)9-10-4-3-6-14-8-10/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyRLLMOZSDGCTIMW-UHFFFAOYSA-N
XLogP1.46
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylpropyl)-N-(pyridin-3-ylmethylsulfonyl)-1,3-thiazole-5-carboxamide
CID 146104224
pyridin-3-ylmethanesulfonyl chloride
CID 4658302
3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one
CID 116566436
ethyl pyridin-3-ylmethanesulfonate
CID 174906539
3,4-dimethyl-5-(pyridin-3-ylmethylsulfonyl)benzoic acid
CID 43323278
ethyl N-[(pyridin-3-ylamino)methylsulfonyl]carbamate
CID 166523111
2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820
2-amino-2-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 60848389
2-amino-2-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 55078393
2-methyl-2-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 30307775
3-amino-3-methyl-1-pyridin-3-ylhexan-2-one
CID 116557063
pyridin-3-ylmethyl (2S)-2,3-diamino-2-methyl-3-oxopropanoate
CID 69135337

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-3-ylmethylsulfonyl)-2-(1,2-thiazol-5-yl)propanamide?
The IUPAC name of 2-methyl-N-(pyridin-3-ylmethylsulfonyl)-2-(1,2-thiazol-5-yl)propanamide (CID 167793807) is 2-methyl-N-(pyridin-3-ylmethylsulfonyl)-2-(1,2-thiazol-5-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(pyridin-3-ylmethylsulfonyl)-2-(1,2-thiazol-5-yl)propanamide?
The canonical SMILES for 2-methyl-N-(pyridin-3-ylmethylsulfonyl)-2-(1,2-thiazol-5-yl)propanamide is CC(C)(C(=O)NS(=O)(=O)Cc1cccnc1)c1ccns1.
What is the InChIKey of 2-methyl-N-(pyridin-3-ylmethylsulfonyl)-2-(1,2-thiazol-5-yl)propanamide?
The InChIKey is RLLMOZSDGCTIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-13(2,11-5-7-15-20-11)12(17)16-21(18,19)9-10-4-3-6-14-8-10/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-N-(pyridin-3-ylmethylsulfonyl)-2-(1,2-thiazol-5-yl)propanamide?
2-methyl-N-(pyridin-3-ylmethylsulfonyl)-2-(1,2-thiazol-5-yl)propanamide has a molecular weight of 325.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-3-ylmethylsulfonyl)-2-(1,2-thiazol-5-yl)propanamide is sourced from PubChem (CID 167793807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).