N-(2-methyl-3-thiophen-2-ylpropyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide

C13H20N2O3S2 — CID 71989832

IUPACN-(2-methyl-3-thiophen-2-ylpropyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCC(CNC(=O)N1CCS(=O)(=O)CC1)Cc1cccs1
InChIInChI=1S/C13H20N2O3S2/c1-11(9-12-3-2-6-19-12)10-14-13(16)15-4-7-20(17,18)8-5-15/h2-3,6,11H,4-5,7-10H2,1H3,(H,14,16)
InChIKeyWRKYEFCLOOWSRU-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.37
Rot. Bonds4

About N-(2-methyl-3-thiophen-2-ylpropyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-(2-methyl-3-thiophen-2-ylpropyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 71989832) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(2-methyl-3-thiophen-2-ylpropyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-thiophen-2-ylpropyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID71989832
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC NameN-(2-methyl-3-thiophen-2-ylpropyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCC(CNC(=O)N1CCS(=O)(=O)CC1)Cc1cccs1
InChIInChI=1S/C13H20N2O3S2/c1-11(9-12-3-2-6-19-12)10-14-13(16)15-4-7-20(17,18)8-5-15/h2-3,6,11H,4-5,7-10H2,1H3,(H,14,16)
InChIKeyWRKYEFCLOOWSRU-UHFFFAOYSA-N
XLogP1.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methylthiophen-2-yl)sulfonyl-N-pentylpiperazine-1-carboxamide
CID 40146175
4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 47046097
1-(1-Methylsulfonylpiperidin-4-yl)-3-(1-thiophen-2-ylpropyl)urea
CID 51089243
1-Ethyl-3-(2-(4-(thiophen-2-yl)piperidin-1-yl)ethyl)urea
CID 71787148
1-Methyl-3-(2-methyl-2-methylsulfonylpropyl)-1-[(5-methylthiophen-2-yl)methyl]urea
CID 71862965
4-(hydroxymethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 71867984
4-[acetyl(methyl)amino]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 71867985
1-(2-Ethylsulfonylethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea
CID 71933688
3-(2,2-Dimethyl-4-methylsulfonylbutyl)-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea
CID 72006276
N-(2-methyl-3-thiophen-2-ylpropyl)thiomorpholine-4-carboxamide
CID 72116199
4-(2,2-difluoroethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)piperazine-1-carboxamide
CID 72116212
1-(2-Ethylsulfonylethyl)-1-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]urea
CID 84591944

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-thiophen-2-ylpropyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-(2-methyl-3-thiophen-2-ylpropyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 71989832) is N-(2-methyl-3-thiophen-2-ylpropyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-(2-methyl-3-thiophen-2-ylpropyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-(2-methyl-3-thiophen-2-ylpropyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide is CC(CNC(=O)N1CCS(=O)(=O)CC1)Cc1cccs1.
What is the InChIKey of N-(2-methyl-3-thiophen-2-ylpropyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is WRKYEFCLOOWSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-11(9-12-3-2-6-19-12)10-14-13(16)15-4-7-20(17,18)8-5-15/h2-3,6,11H,4-5,7-10H2,1H3,(H,14,16).
What are the key properties of N-(2-methyl-3-thiophen-2-ylpropyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-(2-methyl-3-thiophen-2-ylpropyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-thiophen-2-ylpropyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 71989832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).