N-(1-benzylpiperidin-4-yl)-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide

C24H31N3O2S2 — CID 20974416

IUPACN-(1-benzylpiperidin-4-yl)-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
SMILESCC(C)Cc1cc2c(s1)SCC(=O)N2CC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H31N3O2S2/c1-17(2)12-20-13-21-24(31-20)30-16-23(29)27(21)15-22(28)25-19-8-10-26(11-9-19)14-18-6-4-3-5-7-18/h3-7,13,17,19H,8-12,14-16H2,1-2H3,(H,25,28)
InChIKeyMFSUUGVLKSTGKT-UHFFFAOYSA-N
MW457.67 g/mol
LogP4.17
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide

N-(1-benzylpiperidin-4-yl)-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide (PubChem CID 20974416) has the molecular formula C24H31N3O2S2 and a molecular weight of 457.67 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
PubChem CID20974416
Molecular FormulaC24H31N3O2S2
Molecular Weight457.67 g/mol
Exact Mass457.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
SMILESCC(C)Cc1cc2c(s1)SCC(=O)N2CC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H31N3O2S2/c1-17(2)12-20-13-21-24(31-20)30-16-23(29)27(21)15-22(28)25-19-8-10-26(11-9-19)14-18-6-4-3-5-7-18/h3-7,13,17,19H,8-12,14-16H2,1-2H3,(H,25,28)
InChIKeyMFSUUGVLKSTGKT-UHFFFAOYSA-N
XLogP4.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.67
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 20974420
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide (CID 20974416) is N-(1-benzylpiperidin-4-yl)-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide is CC(C)Cc1cc2c(s1)SCC(=O)N2CC(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide?
The InChIKey is MFSUUGVLKSTGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S2/c1-17(2)12-20-13-21-24(31-20)30-16-23(29)27(21)15-22(28)25-19-8-10-26(11-9-19)14-18-6-4-3-5-7-18/h3-7,13,17,19H,8-12,14-16H2,1-2H3,(H,25,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide has a molecular weight of 457.67 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide is sourced from PubChem (CID 20974416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).