6-(2-methylpropyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-b][1,4]thiazin-2-one

C16H22N2O2S2 — CID 20974409

IUPAC6-(2-methylpropyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-b][1,4]thiazin-2-one
SMILESCC(C)Cc1cc2c(s1)SCC(=O)N2CC(=O)N1CCCC1
InChIInChI=1S/C16H22N2O2S2/c1-11(2)7-12-8-13-16(22-12)21-10-15(20)18(13)9-14(19)17-5-3-4-6-17/h8,11H,3-7,9-10H2,1-2H3
InChIKeyNDIDRCPVARCNGO-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.01
Rot. Bonds4

About 6-(2-methylpropyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-b][1,4]thiazin-2-one

6-(2-methylpropyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-b][1,4]thiazin-2-one (PubChem CID 20974409) has the molecular formula C16H22N2O2S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 6-(2-methylpropyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-b][1,4]thiazin-2-one
PubChem CID20974409
Molecular FormulaC16H22N2O2S2
Molecular Weight338.50 g/mol
Exact Mass338.11
IUPAC Name6-(2-methylpropyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-b][1,4]thiazin-2-one
SMILESCC(C)Cc1cc2c(s1)SCC(=O)N2CC(=O)N1CCCC1
InChIInChI=1S/C16H22N2O2S2/c1-11(2)7-12-8-13-16(22-12)21-10-15(20)18(13)9-14(19)17-5-3-4-6-17/h8,11H,3-7,9-10H2,1-2H3
InChIKeyNDIDRCPVARCNGO-UHFFFAOYSA-N
XLogP3.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
CID 20974420
N-[(2-methylphenyl)methyl]-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
CID 20974430
N-(1-benzylpiperidin-4-yl)-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
CID 20974416
2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 20974403
4-[2-(azepan-1-yl)-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50777137
4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,4-benzothiazin-3-one
CID 95334203
2-(6-ethyl-2-oxothieno[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 20974369
7-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 3956945
6-hydroxy-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 82063360
(3S)-1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119137272
4-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-1,4-benzothiazin-3-one
CID 18157500
4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6-(pyrrolidine-1-carbonyl)-1,4-benzothiazin-3-one
CID 50777258

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-b][1,4]thiazin-2-one?
The IUPAC name of 6-(2-methylpropyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-b][1,4]thiazin-2-one (CID 20974409) is 6-(2-methylpropyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for 6-(2-methylpropyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for 6-(2-methylpropyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-b][1,4]thiazin-2-one is CC(C)Cc1cc2c(s1)SCC(=O)N2CC(=O)N1CCCC1.
What is the InChIKey of 6-(2-methylpropyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-b][1,4]thiazin-2-one?
The InChIKey is NDIDRCPVARCNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S2/c1-11(2)7-12-8-13-16(22-12)21-10-15(20)18(13)9-14(19)17-5-3-4-6-17/h8,11H,3-7,9-10H2,1-2H3.
What are the key properties of 6-(2-methylpropyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-b][1,4]thiazin-2-one?
6-(2-methylpropyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-b][1,4]thiazin-2-one has a molecular weight of 338.50 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 20974409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).