2-methyl-N-[[2-(1-propylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide

C16H27N3O3S2 — CID 53149480

IUPAC2-methyl-N-[[2-(1-propylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCCS(=O)(=O)N1CCCC(c2nc(CNC(=O)C(C)C)cs2)C1
InChIInChI=1S/C16H27N3O3S2/c1-4-8-24(21,22)19-7-5-6-13(10-19)16-18-14(11-23-16)9-17-15(20)12(2)3/h11-13H,4-10H2,1-3H3,(H,17,20)
InChIKeyNBHXIIMLALCQQJ-UHFFFAOYSA-N
MW373.54 g/mol
LogP2.33
Rot. Bonds7

About 2-methyl-N-[[2-(1-propylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide

2-methyl-N-[[2-(1-propylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 53149480) has the molecular formula C16H27N3O3S2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-methyl-N-[[2-(1-propylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[2-(1-propylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID53149480
Molecular FormulaC16H27N3O3S2
Molecular Weight373.54 g/mol
Exact Mass373.15
IUPAC Name2-methyl-N-[[2-(1-propylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCCS(=O)(=O)N1CCCC(c2nc(CNC(=O)C(C)C)cs2)C1
InChIInChI=1S/C16H27N3O3S2/c1-4-8-24(21,22)19-7-5-6-13(10-19)16-18-14(11-23-16)9-17-15(20)12(2)3/h11-13H,4-10H2,1-3H3,(H,17,20)
InChIKeyNBHXIIMLALCQQJ-UHFFFAOYSA-N
XLogP2.33
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(1-propylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[2-(1-propylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide (CID 53149480) is 2-methyl-N-[[2-(1-propylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[2-(1-propylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[2-(1-propylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide is CCCS(=O)(=O)N1CCCC(c2nc(CNC(=O)C(C)C)cs2)C1.
What is the InChIKey of 2-methyl-N-[[2-(1-propylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is NBHXIIMLALCQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S2/c1-4-8-24(21,22)19-7-5-6-13(10-19)16-18-14(11-23-16)9-17-15(20)12(2)3/h11-13H,4-10H2,1-3H3,(H,17,20).
What are the key properties of 2-methyl-N-[[2-(1-propylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide?
2-methyl-N-[[2-(1-propylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 373.54 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(1-propylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 53149480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).