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

C11H22N2O4S — CID 113468661

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-ethyl-N-(3-hydroxypropyl)acetamide
SMILESCCN(CCCO)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C11H22N2O4S/c1-2-13(5-3-6-14)11(15)8-10-9-18(16,17)7-4-12-10/h10,12,14H,2-9H2,1H3
InChIKeyPKWAQJTVOFELEA-UHFFFAOYSA-N
MW278.37 g/mol
LogP-1.01
Rot. Bonds6

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

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-ethyl-N-(3-hydroxypropyl)acetamide (PubChem CID 113468661) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-ethyl-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-ethyl-N-(3-hydroxypropyl)acetamide
PubChem CID113468661
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-ethyl-N-(3-hydroxypropyl)acetamide
SMILESCCN(CCCO)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C11H22N2O4S/c1-2-13(5-3-6-14)11(15)8-10-9-18(16,17)7-4-12-10/h10,12,14H,2-9H2,1H3
InChIKeyPKWAQJTVOFELEA-UHFFFAOYSA-N
XLogP-1.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 80520104
N-(2,2-difluoroethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxyethyl)acetamide
CID 107479487
N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 114154213
2-Amino-1-(4-hydroxypiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 24693773
2-amino-N-(3-hydroxypropyl)-4-methylsulfonylbutanamide
CID 43363332
2-Amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one
CID 43501366
3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide
CID 54870794
2-amino-N-(3-hydroxypropyl)-4-methylsulfonyl-N-propan-2-ylbutanamide
CID 54916292
3-Amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
CID 60837020
N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide
CID 62837790
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-3-(ethylamino)butan-1-one
CID 62839687
N-(2-methylsulfonylethyl)-2-thiomorpholin-3-ylacetamide
CID 66420061

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-ethyl-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-ethyl-N-(3-hydroxypropyl)acetamide (CID 113468661) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-ethyl-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-ethyl-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-ethyl-N-(3-hydroxypropyl)acetamide is CCN(CCCO)C(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-ethyl-N-(3-hydroxypropyl)acetamide?
The InChIKey is PKWAQJTVOFELEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-2-13(5-3-6-14)11(15)8-10-9-18(16,17)7-4-12-10/h10,12,14H,2-9H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-ethyl-N-(3-hydroxypropyl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-ethyl-N-(3-hydroxypropyl)acetamide has a molecular weight of 278.37 g/mol, XLogP of -1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-ethyl-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 113468661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).