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

C16H27N3O3S2 — CID 71842010

IUPAC2-methyl-N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCC(C)C(=O)NCc1csc(C2CCCN(S(=O)(=O)C(C)C)C2)n1
InChIInChI=1S/C16H27N3O3S2/c1-11(2)15(20)17-8-14-10-23-16(18-14)13-6-5-7-19(9-13)24(21,22)12(3)4/h10-13H,5-9H2,1-4H3,(H,17,20)
InChIKeyGEGITSGRXWQBNZ-UHFFFAOYSA-N
MW373.54 g/mol
LogP2.33
Rot. Bonds6

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

2-methyl-N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 71842010) has the molecular formula C16H27N3O3S2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-methyl-N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID71842010
Molecular FormulaC16H27N3O3S2
Molecular Weight373.54 g/mol
Exact Mass373.15
IUPAC Name2-methyl-N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCC(C)C(=O)NCc1csc(C2CCCN(S(=O)(=O)C(C)C)C2)n1
InChIInChI=1S/C16H27N3O3S2/c1-11(2)15(20)17-8-14-10-23-16(18-14)13-6-5-7-19(9-13)24(21,22)12(3)4/h10-13H,5-9H2,1-4H3,(H,17,20)
InChIKeyGEGITSGRXWQBNZ-UHFFFAOYSA-N
XLogP2.33
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide (CID 71842010) is 2-methyl-N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide is CC(C)C(=O)NCc1csc(C2CCCN(S(=O)(=O)C(C)C)C2)n1.
What is the InChIKey of 2-methyl-N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is GEGITSGRXWQBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S2/c1-11(2)15(20)17-8-14-10-23-16(18-14)13-6-5-7-19(9-13)24(21,22)12(3)4/h10-13H,5-9H2,1-4H3,(H,17,20).
What are the key properties of 2-methyl-N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide?
2-methyl-N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 373.54 g/mol, XLogP of 2.33, 6 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-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 71842010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).