(2R)-2-(1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxypropanamide

C11H15N3O4S — CID 11822212

IUPAC(2R)-2-(1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxypropanamide
SMILESC[C@H](C(=O)NO)N1CCNc2ccccc2S1(=O)=O
InChIInChI=1S/C11H15N3O4S/c1-8(11(15)13-16)14-7-6-12-9-4-2-3-5-10(9)19(14,17)18/h2-5,8,12,16H,6-7H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyZPDVGCNXBJNBDB-MRVPVSSYSA-N
MW285.32 g/mol
LogP-0.00
Rot. Bonds2

About (2R)-2-(1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxypropanamide

(2R)-2-(1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxypropanamide (PubChem CID 11822212) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is (2R)-2-(1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-(1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxypropanamide
PubChem CID11822212
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name(2R)-2-(1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxypropanamide
SMILESC[C@H](C(=O)NO)N1CCNc2ccccc2S1(=O)=O
InChIInChI=1S/C11H15N3O4S/c1-8(11(15)13-16)14-7-6-12-9-4-2-3-5-10(9)19(14,17)18/h2-5,8,12,16H,6-7H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyZPDVGCNXBJNBDB-MRVPVSSYSA-N
XLogP-0.00
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxypropanamide?
The IUPAC name of (2R)-2-(1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxypropanamide (CID 11822212) is (2R)-2-(1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxypropanamide.
What is the SMILES notation for (2R)-2-(1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxypropanamide?
The canonical SMILES for (2R)-2-(1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxypropanamide is C[C@H](C(=O)NO)N1CCNc2ccccc2S1(=O)=O.
What is the InChIKey of (2R)-2-(1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxypropanamide?
The InChIKey is ZPDVGCNXBJNBDB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-8(11(15)13-16)14-7-6-12-9-4-2-3-5-10(9)19(14,17)18/h2-5,8,12,16H,6-7H2,1H3,(H,13,15)/t8-/m1/s1.
What are the key properties of (2R)-2-(1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxypropanamide?
(2R)-2-(1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxypropanamide has a molecular weight of 285.32 g/mol, XLogP of -0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxypropanamide is sourced from PubChem (CID 11822212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).