N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide

C9H18N2O3S — CID 90276982

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide
SMILESCCC(=O)NCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H18N2O3S/c1-2-9(12)10-3-4-11-5-7-15(13,14)8-6-11/h2-8H2,1H3,(H,10,12)
InChIKeyWIRZFCALLOPPQE-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.76
Rot. Bonds4

About N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide

N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide (PubChem CID 90276982) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide
PubChem CID90276982
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide
SMILESCCC(=O)NCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H18N2O3S/c1-2-9(12)10-3-4-11-5-7-15(13,14)8-6-11/h2-8H2,1H3,(H,10,12)
InChIKeyWIRZFCALLOPPQE-UHFFFAOYSA-N
XLogP-0.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide
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3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide
CID 119953269
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine
CID 60840838
2-(5-chloro-2-methoxyphenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]acetamide
CID 52910536
3-[2-(4-methylpiperazin-1-yl)ethylamino]-3-oxopropanoic acid
CID 62230217
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 60925043
2-(cyclopropylmethyl)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111870199
2-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 120669819
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-ethyl-2-hexylguanidine
CID 111161343
N-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]propanamide
CID 71113606
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]hydrazine
CID 22326506

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide (CID 90276982) is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide is CCC(=O)NCCN1CCS(=O)(=O)CC1.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide?
The InChIKey is WIRZFCALLOPPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-2-9(12)10-3-4-11-5-7-15(13,14)8-6-11/h2-8H2,1H3,(H,10,12).
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide?
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide has a molecular weight of 234.32 g/mol, XLogP of -0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide is sourced from PubChem (CID 90276982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).