2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-dimethylpropanamide

C11H21N3O4S — CID 80519954

IUPAC2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)CC1CS(=O)(=O)CCN1)C(=O)N(C)C
InChIInChI=1S/C11H21N3O4S/c1-8(11(16)14(2)3)13-10(15)6-9-7-19(17,18)5-4-12-9/h8-9,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyRWAKVDTVUKTPAJ-UHFFFAOYSA-N
MW291.37 g/mol
LogP-1.64
Rot. Bonds4

About 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-dimethylpropanamide

2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-dimethylpropanamide (PubChem CID 80519954) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-dimethylpropanamide
PubChem CID80519954
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Name2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)CC1CS(=O)(=O)CCN1)C(=O)N(C)C
InChIInChI=1S/C11H21N3O4S/c1-8(11(16)14(2)3)13-10(15)6-9-7-19(17,18)5-4-12-9/h8-9,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyRWAKVDTVUKTPAJ-UHFFFAOYSA-N
XLogP-1.64
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-dimethylpropanamide (CID 80519954) is 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-dimethylpropanamide is CC(NC(=O)CC1CS(=O)(=O)CCN1)C(=O)N(C)C.
What is the InChIKey of 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-dimethylpropanamide?
The InChIKey is RWAKVDTVUKTPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S/c1-8(11(16)14(2)3)13-10(15)6-9-7-19(17,18)5-4-12-9/h8-9,12H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-dimethylpropanamide?
2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-dimethylpropanamide has a molecular weight of 291.37 g/mol, XLogP of -1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 80519954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).