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

C9H18N2O3S — CID 110720874

IUPACN-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide
SMILESCCC(=O)NCCN1CCCCS1(=O)=O
InChIInChI=1S/C9H18N2O3S/c1-2-9(12)10-5-7-11-6-3-4-8-15(11,13)14/h2-8H2,1H3,(H,10,12)
InChIKeyYUUKMHKBJNMLNH-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.06
Rot. Bonds4

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

N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide (PubChem CID 110720874) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide
PubChem CID110720874
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide
SMILESCCC(=O)NCCN1CCCCS1(=O)=O
InChIInChI=1S/C9H18N2O3S/c1-2-9(12)10-5-7-11-6-3-4-8-15(11,13)14/h2-8H2,1H3,(H,10,12)
InChIKeyYUUKMHKBJNMLNH-UHFFFAOYSA-N
XLogP-0.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide
CID 110720873
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide
CID 110720877
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide
CID 59779901
N-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687817
N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-ethylbutanamide
CID 110720992
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide
CID 90276982
N-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687876
1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-propylguanidine
CID 111226410
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
3-(1,1-dioxothiazinan-2-yl)-N-ethylpropan-1-amine
CID 116816769
N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687638
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide
CID 110720894

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide?
The IUPAC name of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide (CID 110720874) is N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide is CCC(=O)NCCN1CCCCS1(=O)=O.
What is the InChIKey of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide?
The InChIKey is YUUKMHKBJNMLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-2-9(12)10-5-7-11-6-3-4-8-15(11,13)14/h2-8H2,1H3,(H,10,12).
What are the key properties of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide?
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide has a molecular weight of 234.32 g/mol, XLogP of -0.06, 4 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]propanamide is sourced from PubChem (CID 110720874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).