N-butyl-2-(1,1-dioxothiazinan-2-yl)-N-methylacetamide

C11H22N2O3S — CID 110687709

IUPACN-butyl-2-(1,1-dioxothiazinan-2-yl)-N-methylacetamide
SMILESCCCCN(C)C(=O)CN1CCCCS1(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-3-4-7-12(2)11(14)10-13-8-5-6-9-17(13,15)16/h3-10H2,1-2H3
InChIKeyLQIFZEBCLXNUQK-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.67
Rot. Bonds5

About N-butyl-2-(1,1-dioxothiazinan-2-yl)-N-methylacetamide

N-butyl-2-(1,1-dioxothiazinan-2-yl)-N-methylacetamide (PubChem CID 110687709) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-butyl-2-(1,1-dioxothiazinan-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-(1,1-dioxothiazinan-2-yl)-N-methylacetamide
PubChem CID110687709
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-butyl-2-(1,1-dioxothiazinan-2-yl)-N-methylacetamide
SMILESCCCCN(C)C(=O)CN1CCCCS1(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-3-4-7-12(2)11(14)10-13-8-5-6-9-17(13,15)16/h3-10H2,1-2H3
InChIKeyLQIFZEBCLXNUQK-UHFFFAOYSA-N
XLogP0.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(1,1-dioxothiazinan-2-yl)-N-methylacetamide?
The IUPAC name of N-butyl-2-(1,1-dioxothiazinan-2-yl)-N-methylacetamide (CID 110687709) is N-butyl-2-(1,1-dioxothiazinan-2-yl)-N-methylacetamide.
What is the SMILES notation for N-butyl-2-(1,1-dioxothiazinan-2-yl)-N-methylacetamide?
The canonical SMILES for N-butyl-2-(1,1-dioxothiazinan-2-yl)-N-methylacetamide is CCCCN(C)C(=O)CN1CCCCS1(=O)=O.
What is the InChIKey of N-butyl-2-(1,1-dioxothiazinan-2-yl)-N-methylacetamide?
The InChIKey is LQIFZEBCLXNUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-4-7-12(2)11(14)10-13-8-5-6-9-17(13,15)16/h3-10H2,1-2H3.
What are the key properties of N-butyl-2-(1,1-dioxothiazinan-2-yl)-N-methylacetamide?
N-butyl-2-(1,1-dioxothiazinan-2-yl)-N-methylacetamide has a molecular weight of 262.37 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(1,1-dioxothiazinan-2-yl)-N-methylacetamide is sourced from PubChem (CID 110687709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).