N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide

C12H24N2O3S — CID 59779901

IUPACN-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCN1CCCCS1(=O)=O
InChIInChI=1S/C12H24N2O3S/c1-4-12(2,3)11(15)13-7-9-14-8-5-6-10-18(14,16)17/h4-10H2,1-3H3,(H,13,15)
InChIKeyWQSCJCSWOSKVEQ-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.96
Rot. Bonds5

About N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide

N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide (PubChem CID 59779901) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide
PubChem CID59779901
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCN1CCCCS1(=O)=O
InChIInChI=1S/C12H24N2O3S/c1-4-12(2,3)11(15)13-7-9-14-8-5-6-10-18(14,16)17/h4-10H2,1-3H3,(H,13,15)
InChIKeyWQSCJCSWOSKVEQ-UHFFFAOYSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide
CID 110720874
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide
CID 110720873
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide
CID 110720877
N-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687876
2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120590902
N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-ethylbutanamide
CID 110720992
1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-propylguanidine
CID 111226410
1-tert-butyl-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110965657
3-(1,1-dioxothiazinan-2-yl)-N-ethylpropan-1-amine
CID 116816769
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide
CID 110720894
N-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687817
tert-butyl N-[3-[[N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111887529

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide (CID 59779901) is N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCCN1CCCCS1(=O)=O.
What is the InChIKey of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide?
The InChIKey is WQSCJCSWOSKVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-4-12(2,3)11(15)13-7-9-14-8-5-6-10-18(14,16)17/h4-10H2,1-3H3,(H,13,15).
What are the key properties of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide?
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide has a molecular weight of 276.40 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 59779901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).