2-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylcyclohexyl)propanamide

C16H30N2O3S — CID 136514098

IUPAC2-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1NC(=O)C(C)N1CCS(=O)(=O)C(C)(C)C1
InChIInChI=1S/C16H30N2O3S/c1-12-7-5-6-8-14(12)17-15(19)13(2)18-9-10-22(20,21)16(3,4)11-18/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeyJTUAGYFZCBDGMZ-UHFFFAOYSA-N
MW330.49 g/mol
LogP1.58
Rot. Bonds3

About 2-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylcyclohexyl)propanamide

2-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylcyclohexyl)propanamide (PubChem CID 136514098) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylcyclohexyl)propanamide
PubChem CID136514098
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC Name2-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1NC(=O)C(C)N1CCS(=O)(=O)C(C)(C)C1
InChIInChI=1S/C16H30N2O3S/c1-12-7-5-6-8-14(12)17-15(19)13(2)18-9-10-22(20,21)16(3,4)11-18/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeyJTUAGYFZCBDGMZ-UHFFFAOYSA-N
XLogP1.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of 2-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylcyclohexyl)propanamide (CID 136514098) is 2-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 2-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylcyclohexyl)propanamide is CC1CCCCC1NC(=O)C(C)N1CCS(=O)(=O)C(C)(C)C1.
What is the InChIKey of 2-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylcyclohexyl)propanamide?
The InChIKey is JTUAGYFZCBDGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-12-7-5-6-8-14(12)17-15(19)13(2)18-9-10-22(20,21)16(3,4)11-18/h12-14H,5-11H2,1-4H3,(H,17,19).
What are the key properties of 2-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylcyclohexyl)propanamide?
2-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylcyclohexyl)propanamide has a molecular weight of 330.49 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 136514098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).