2,2-dimethyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]butanamide

C14H28N2O2S — CID 56790591

IUPAC2,2-dimethyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]butanamide
SMILESCCC(C)(C)C(=O)NCC(C)(C)N1CCS(=O)CC1
InChIInChI=1S/C14H28N2O2S/c1-6-13(2,3)12(17)15-11-14(4,5)16-7-9-19(18)10-8-16/h6-11H2,1-5H3,(H,15,17)
InChIKeyHKMWFPZYNIZMEH-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.38
Rot. Bonds5

About 2,2-dimethyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]butanamide

2,2-dimethyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]butanamide (PubChem CID 56790591) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]butanamide
PubChem CID56790591
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name2,2-dimethyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]butanamide
SMILESCCC(C)(C)C(=O)NCC(C)(C)N1CCS(=O)CC1
InChIInChI=1S/C14H28N2O2S/c1-6-13(2,3)12(17)15-11-14(4,5)16-7-9-19(18)10-8-16/h6-11H2,1-5H3,(H,15,17)
InChIKeyHKMWFPZYNIZMEH-UHFFFAOYSA-N
XLogP1.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]butanamide (CID 56790591) is 2,2-dimethyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]butanamide is CCC(C)(C)C(=O)NCC(C)(C)N1CCS(=O)CC1.
What is the InChIKey of 2,2-dimethyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]butanamide?
The InChIKey is HKMWFPZYNIZMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-6-13(2,3)12(17)15-11-14(4,5)16-7-9-19(18)10-8-16/h6-11H2,1-5H3,(H,15,17).
What are the key properties of 2,2-dimethyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]butanamide?
2,2-dimethyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]butanamide has a molecular weight of 288.46 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]butanamide is sourced from PubChem (CID 56790591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).