2-(1,1-dioxothiazinan-2-yl)-N-(3-methoxypropyl)acetamide

C10H20N2O4S — CID 110687646

IUPAC2-(1,1-dioxothiazinan-2-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCCCS1(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-16-7-4-5-11-10(13)9-12-6-2-3-8-17(12,14)15/h2-9H2,1H3,(H,11,13)
InChIKeyXFAZKACYWLDRMO-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.44
Rot. Bonds6

About 2-(1,1-dioxothiazinan-2-yl)-N-(3-methoxypropyl)acetamide

2-(1,1-dioxothiazinan-2-yl)-N-(3-methoxypropyl)acetamide (PubChem CID 110687646) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(1,1-dioxothiazinan-2-yl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiazinan-2-yl)-N-(3-methoxypropyl)acetamide
PubChem CID110687646
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-(1,1-dioxothiazinan-2-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCCCS1(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-16-7-4-5-11-10(13)9-12-6-2-3-8-17(12,14)15/h2-9H2,1H3,(H,11,13)
InChIKeyXFAZKACYWLDRMO-UHFFFAOYSA-N
XLogP-0.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[(2-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3-methoxypropyl)acetamide
CID 20952576
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55432469
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide
CID 110720874
N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687638
N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-ethylbutanamide
CID 110720992
N-(3-methoxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 94869868
2-ethyl-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 83080375
N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-(2-methylphenyl)acetamide
CID 110721036
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145
methyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730658
N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 78787278
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 62014539

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiazinan-2-yl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(1,1-dioxothiazinan-2-yl)-N-(3-methoxypropyl)acetamide (CID 110687646) is 2-(1,1-dioxothiazinan-2-yl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiazinan-2-yl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiazinan-2-yl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CCCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxothiazinan-2-yl)-N-(3-methoxypropyl)acetamide?
The InChIKey is XFAZKACYWLDRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-16-7-4-5-11-10(13)9-12-6-2-3-8-17(12,14)15/h2-9H2,1H3,(H,11,13).
What are the key properties of 2-(1,1-dioxothiazinan-2-yl)-N-(3-methoxypropyl)acetamide?
2-(1,1-dioxothiazinan-2-yl)-N-(3-methoxypropyl)acetamide has a molecular weight of 264.35 g/mol, XLogP of -0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiazinan-2-yl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 110687646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).