N-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

C12H24N2O3S — CID 103461661

IUPACN-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESCCC(C)(C)CNC(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C12H24N2O3S/c1-4-12(2,3)9-14-11(15)7-10-8-18(16,17)6-5-13-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyDPTYWUJCQMIFBS-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.32
Rot. Bonds5

About N-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

N-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (PubChem CID 103461661) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
PubChem CID103461661
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESCCC(C)(C)CNC(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C12H24N2O3S/c1-4-12(2,3)9-14-11(15)7-10-8-18(16,17)6-5-13-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyDPTYWUJCQMIFBS-UHFFFAOYSA-N
XLogP0.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The IUPAC name of N-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (CID 103461661) is N-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is CCC(C)(C)CNC(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of N-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The InChIKey is DPTYWUJCQMIFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-4-12(2,3)9-14-11(15)7-10-8-18(16,17)6-5-13-10/h10,13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
N-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide has a molecular weight of 276.40 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is sourced from PubChem (CID 103461661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).