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

C10H20N2O4S — CID 80520737

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCC(C)(O)CNC(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C10H20N2O4S/c1-10(2,14)7-12-9(13)5-8-6-17(15,16)4-3-11-8/h8,11,14H,3-7H2,1-2H3,(H,12,13)
InChIKeyQTSYVPBKBYZDRI-UHFFFAOYSA-N
MW264.35 g/mol
LogP-1.35
Rot. Bonds4

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

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxy-2-methylpropyl)acetamide (PubChem CID 80520737) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID80520737
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCC(C)(O)CNC(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C10H20N2O4S/c1-10(2,14)7-12-9(13)5-8-6-17(15,16)4-3-11-8/h8,11,14H,3-7H2,1-2H3,(H,12,13)
InChIKeyQTSYVPBKBYZDRI-UHFFFAOYSA-N
XLogP-1.35
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 105646410
2-hydroxy-2-methyl-N-propan-2-yl-3-propan-2-ylsulfonylpropanamide
CID 177122851
N-(1,1-dioxothian-4-yl)-3-(ethylamino)butanamide
CID 55123039
3-amino-N-(1,1-dioxothian-4-yl)butanamide
CID 60837029
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-3-(ethylamino)butan-1-one
CID 62839687
3-amino-N-(1,1-dioxothian-3-yl)butanamide
CID 63921942
N-(1,1-dioxothian-3-yl)-3-(ethylamino)butanamide
CID 63923923
2-Amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one
CID 64339756
2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylsulfonylbutanamide
CID 65106167
N-(2-methylsulfonylethyl)-2-thiomorpholin-3-ylacetamide
CID 66420061
N-(3-methylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66420084
N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66420132

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxy-2-methylpropyl)acetamide (CID 80520737) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxy-2-methylpropyl)acetamide is CC(C)(O)CNC(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is QTSYVPBKBYZDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-10(2,14)7-12-9(13)5-8-6-17(15,16)4-3-11-8/h8,11,14H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxy-2-methylpropyl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 264.35 g/mol, XLogP of -1.35, 4 rotatable bonds, 3 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-(2-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 80520737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).