2,2-diethyl-N-(3-methylbutyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide

C14H28N2O3S — CID 100704369

IUPAC2,2-diethyl-N-(3-methylbutyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCCC1(CC)CN(C(=O)NCCC(C)C)CCS1(=O)=O
InChIInChI=1S/C14H28N2O3S/c1-5-14(6-2)11-16(9-10-20(14,18)19)13(17)15-8-7-12(3)4/h12H,5-11H2,1-4H3,(H,15,17)
InChIKeyJSGCXTPOWDNOPT-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.03
Rot. Bonds5

About 2,2-diethyl-N-(3-methylbutyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide

2,2-diethyl-N-(3-methylbutyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 100704369) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2,2-diethyl-N-(3-methylbutyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name2,2-diethyl-N-(3-methylbutyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID100704369
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name2,2-diethyl-N-(3-methylbutyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCCC1(CC)CN(C(=O)NCCC(C)C)CCS1(=O)=O
InChIInChI=1S/C14H28N2O3S/c1-5-14(6-2)11-16(9-10-20(14,18)19)13(17)15-8-7-12(3)4/h12H,5-11H2,1-4H3,(H,15,17)
InChIKeyJSGCXTPOWDNOPT-UHFFFAOYSA-N
XLogP2.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-(3-methylbutyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of 2,2-diethyl-N-(3-methylbutyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 100704369) is 2,2-diethyl-N-(3-methylbutyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for 2,2-diethyl-N-(3-methylbutyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for 2,2-diethyl-N-(3-methylbutyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide is CCC1(CC)CN(C(=O)NCCC(C)C)CCS1(=O)=O.
What is the InChIKey of 2,2-diethyl-N-(3-methylbutyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is JSGCXTPOWDNOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-5-14(6-2)11-16(9-10-20(14,18)19)13(17)15-8-7-12(3)4/h12H,5-11H2,1-4H3,(H,15,17).
What are the key properties of 2,2-diethyl-N-(3-methylbutyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
2,2-diethyl-N-(3-methylbutyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-(3-methylbutyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 100704369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).