N-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide

C11H22N2O3S — CID 110687876

IUPACN-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide
SMILESCC(C)(C)NC(=O)CCN1CCCCS1(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)12-10(14)6-8-13-7-4-5-9-17(13,15)16/h4-9H2,1-3H3,(H,12,14)
InChIKeyKWXYWZROOXNWSR-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.72
Rot. Bonds3

About N-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide

N-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide (PubChem CID 110687876) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide
PubChem CID110687876
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide
SMILESCC(C)(C)NC(=O)CCN1CCCCS1(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)12-10(14)6-8-13-7-4-5-9-17(13,15)16/h4-9H2,1-3H3,(H,12,14)
InChIKeyKWXYWZROOXNWSR-UHFFFAOYSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687817
3-(1,1-dioxothiazinan-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 110687831
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide
CID 110720874
tert-butyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoate
CID 116662651
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide
CID 59779901
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide
CID 110720873
3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide
CID 110687886
3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol
CID 116816741
3-(1,1-dioxothiazinan-2-yl)propanethioamide
CID 116814614
4-[2-(1,1-dioxothiazinan-2-yl)ethyl]-5,5-dimethylhexanoic acid
CID 116814458
(2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid
CID 119244358
1-tert-butyl-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110965657

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide?
The IUPAC name of N-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide (CID 110687876) is N-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide.
What is the SMILES notation for N-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide?
The canonical SMILES for N-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide is CC(C)(C)NC(=O)CCN1CCCCS1(=O)=O.
What is the InChIKey of N-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide?
The InChIKey is KWXYWZROOXNWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(2,3)12-10(14)6-8-13-7-4-5-9-17(13,15)16/h4-9H2,1-3H3,(H,12,14).
What are the key properties of N-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide?
N-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide has a molecular weight of 262.37 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide is sourced from PubChem (CID 110687876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).