N-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

C13H24N2O4S — CID 80520771

IUPACN-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCCOC1CCCC1
InChIInChI=1S/C13H24N2O4S/c16-13(9-11-10-20(17,18)8-6-14-11)15-5-7-19-12-3-1-2-4-12/h11-12,14H,1-10H2,(H,15,16)
InChIKeyOZUPIYHYERMPLY-UHFFFAOYSA-N
MW304.41 g/mol
LogP-0.16
Rot. Bonds6

About N-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

N-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (PubChem CID 80520771) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
PubChem CID80520771
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC NameN-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCCOC1CCCC1
InChIInChI=1S/C13H24N2O4S/c16-13(9-11-10-20(17,18)8-6-14-11)15-5-7-19-12-3-1-2-4-12/h11-12,14H,1-10H2,(H,15,16)
InChIKeyOZUPIYHYERMPLY-UHFFFAOYSA-N
XLogP-0.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclohexyloxyethyl)-2-pyrrolidin-2-ylacetamide
CID 63826362
N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519987
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide
CID 115568056
methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate
CID 80520066
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pent-4-ynylacetamide
CID 114160164
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 80520213
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 80520764
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 107221956
N-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520002
3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-diethylpropanamide
CID 80516106
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 107221082
N-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520759

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The IUPAC name of N-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (CID 80520771) is N-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is O=C(CC1CS(=O)(=O)CCN1)NCCOC1CCCC1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The InChIKey is OZUPIYHYERMPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c16-13(9-11-10-20(17,18)8-6-14-11)15-5-7-19-12-3-1-2-4-12/h11-12,14H,1-10H2,(H,15,16).
What are the key properties of N-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
N-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide has a molecular weight of 304.41 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is sourced from PubChem (CID 80520771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).