(2R)-2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)propanoic acid

C9H18N2O4S — CID 58737814

IUPAC(2R)-2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)propanoic acid
SMILESCC(C)N1CCN([C@H](C)C(=O)O)CS1(=O)=O
InChIInChI=1S/C9H18N2O4S/c1-7(2)11-5-4-10(6-16(11,14)15)8(3)9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)/t8-/m1/s1
InChIKeyHYRBHCWSXQVTIF-MRVPVSSYSA-N
MW250.32 g/mol
LogP-0.23
Rot. Bonds3

About (2R)-2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)propanoic acid

(2R)-2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)propanoic acid (PubChem CID 58737814) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is (2R)-2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)propanoic acid
PubChem CID58737814
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name(2R)-2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)propanoic acid
SMILESCC(C)N1CCN([C@H](C)C(=O)O)CS1(=O)=O
InChIInChI=1S/C9H18N2O4S/c1-7(2)11-5-4-10(6-16(11,14)15)8(3)9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)/t8-/m1/s1
InChIKeyHYRBHCWSXQVTIF-MRVPVSSYSA-N
XLogP-0.23
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)propanoic acid?
The IUPAC name of (2R)-2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)propanoic acid (CID 58737814) is (2R)-2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)propanoic acid?
The canonical SMILES for (2R)-2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)propanoic acid is CC(C)N1CCN([C@H](C)C(=O)O)CS1(=O)=O.
What is the InChIKey of (2R)-2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)propanoic acid?
The InChIKey is HYRBHCWSXQVTIF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-7(2)11-5-4-10(6-16(11,14)15)8(3)9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)propanoic acid?
(2R)-2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)propanoic acid has a molecular weight of 250.32 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,1-dioxo-2-propan-2-yl-1,2,5-thiadiazinan-5-yl)propanoic acid is sourced from PubChem (CID 58737814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).