N-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide

C11H22N2O3S — CID 110687817

IUPACN-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide
SMILESCCC(C)NC(=O)CCN1CCCCS1(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-3-10(2)12-11(14)6-8-13-7-4-5-9-17(13,15)16/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyPOWWKOFRLIYKIM-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.72
Rot. Bonds5

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

N-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide (PubChem CID 110687817) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide
PubChem CID110687817
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide
SMILESCCC(C)NC(=O)CCN1CCCCS1(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-3-10(2)12-11(14)6-8-13-7-4-5-9-17(13,15)16/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyPOWWKOFRLIYKIM-UHFFFAOYSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze N-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687638
(2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid
CID 119244358
2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-4-methylpentanoic acid
CID 119188476
N-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687876
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide
CID 110720874
3-(1,1-dioxothiazinan-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 110687831
3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-2-methylpropanoic acid
CID 119237341
N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-ethylbutanamide
CID 110720992
3-(1,1-dioxothiazinan-2-yl)propanethioamide
CID 116814614
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide
CID 110720873
5-(1,1-dioxothiazinan-2-yl)-2-methylpentanoic acid
CID 116814539
N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 113225849

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide?
The IUPAC name of N-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide (CID 110687817) is N-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide?
The canonical SMILES for N-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide is CCC(C)NC(=O)CCN1CCCCS1(=O)=O.
What is the InChIKey of N-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide?
The InChIKey is POWWKOFRLIYKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-10(2)12-11(14)6-8-13-7-4-5-9-17(13,15)16/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide?
N-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide has a molecular weight of 262.37 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide is sourced from PubChem (CID 110687817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).