N'-(1,1-dioxothiolan-3-yl)morpholine-4-carbohydrazide

C9H17N3O4S — CID 3606949

IUPACN'-(1,1-dioxothiolan-3-yl)morpholine-4-carbohydrazide
SMILESO=C(NNC1CCS(=O)(=O)C1)N1CCOCC1
InChIInChI=1S/C9H17N3O4S/c13-9(12-2-4-16-5-3-12)11-10-8-1-6-17(14,15)7-8/h8,10H,1-7H2,(H,11,13)
InChIKeyBCZXKJZYXXOSRT-UHFFFAOYSA-N
MW263.32 g/mol
LogP-1.28
Rot. Bonds2

About N'-(1,1-dioxothiolan-3-yl)morpholine-4-carbohydrazide

N'-(1,1-dioxothiolan-3-yl)morpholine-4-carbohydrazide (PubChem CID 3606949) has the molecular formula C9H17N3O4S and a molecular weight of 263.32 g/mol. Its IUPAC name is N'-(1,1-dioxothiolan-3-yl)morpholine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(1,1-dioxothiolan-3-yl)morpholine-4-carbohydrazide
PubChem CID3606949
Molecular FormulaC9H17N3O4S
Molecular Weight263.32 g/mol
Exact Mass263.09
IUPAC NameN'-(1,1-dioxothiolan-3-yl)morpholine-4-carbohydrazide
SMILESO=C(NNC1CCS(=O)(=O)C1)N1CCOCC1
InChIInChI=1S/C9H17N3O4S/c13-9(12-2-4-16-5-3-12)11-10-8-1-6-17(14,15)7-8/h8,10H,1-7H2,(H,11,13)
InChIKeyBCZXKJZYXXOSRT-UHFFFAOYSA-N
XLogP-1.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1,1-dioxothiolan-3-yl)morpholine-4-carbohydrazide?
The IUPAC name of N'-(1,1-dioxothiolan-3-yl)morpholine-4-carbohydrazide (CID 3606949) is N'-(1,1-dioxothiolan-3-yl)morpholine-4-carbohydrazide.
What is the SMILES notation for N'-(1,1-dioxothiolan-3-yl)morpholine-4-carbohydrazide?
The canonical SMILES for N'-(1,1-dioxothiolan-3-yl)morpholine-4-carbohydrazide is O=C(NNC1CCS(=O)(=O)C1)N1CCOCC1.
What is the InChIKey of N'-(1,1-dioxothiolan-3-yl)morpholine-4-carbohydrazide?
The InChIKey is BCZXKJZYXXOSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S/c13-9(12-2-4-16-5-3-12)11-10-8-1-6-17(14,15)7-8/h8,10H,1-7H2,(H,11,13).
What are the key properties of N'-(1,1-dioxothiolan-3-yl)morpholine-4-carbohydrazide?
N'-(1,1-dioxothiolan-3-yl)morpholine-4-carbohydrazide has a molecular weight of 263.32 g/mol, XLogP of -1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,1-dioxothiolan-3-yl)morpholine-4-carbohydrazide is sourced from PubChem (CID 3606949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).