2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-di(propan-2-yl)acetamide

C14H28N2O3S — CID 136526747

IUPAC2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC1C(C)S(=O)(=O)CCN1CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H28N2O3S/c1-10(2)16(11(3)4)14(17)9-15-7-8-20(18,19)13(6)12(15)5/h10-13H,7-9H2,1-6H3
InChIKeyLPWBKDDYRKICDX-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.14
Rot. Bonds4

About 2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-di(propan-2-yl)acetamide

2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-di(propan-2-yl)acetamide (PubChem CID 136526747) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-di(propan-2-yl)acetamide
PubChem CID136526747
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC1C(C)S(=O)(=O)CCN1CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H28N2O3S/c1-10(2)16(11(3)4)14(17)9-15-7-8-20(18,19)13(6)12(15)5/h10-13H,7-9H2,1-6H3
InChIKeyLPWBKDDYRKICDX-UHFFFAOYSA-N
XLogP1.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-di(propan-2-yl)acetamide (CID 136526747) is 2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-di(propan-2-yl)acetamide is CC1C(C)S(=O)(=O)CCN1CC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-di(propan-2-yl)acetamide?
The InChIKey is LPWBKDDYRKICDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-10(2)16(11(3)4)14(17)9-15-7-8-20(18,19)13(6)12(15)5/h10-13H,7-9H2,1-6H3.
What are the key properties of 2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-di(propan-2-yl)acetamide?
2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-di(propan-2-yl)acetamide has a molecular weight of 304.46 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 136526747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).