3-[(1,1-dioxothiolan-3-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide

C10H21N3O3S — CID 54998536

IUPAC3-[(1,1-dioxothiolan-3-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide
SMILESCC(C)N(CC/C(N)=N/O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H21N3O3S/c1-8(2)13(5-3-10(11)12-14)9-4-6-17(15,16)7-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyUDQCBKKUIQXWAA-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.02
Rot. Bonds5

About 3-[(1,1-dioxothiolan-3-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide

3-[(1,1-dioxothiolan-3-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide (PubChem CID 54998536) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide
PubChem CID54998536
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name3-[(1,1-dioxothiolan-3-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide
SMILESCC(C)N(CC/C(N)=N/O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H21N3O3S/c1-8(2)13(5-3-10(11)12-14)9-4-6-17(15,16)7-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyUDQCBKKUIQXWAA-UHFFFAOYSA-N
XLogP0.02
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(1,1-dioxothiolan-3-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide (CID 54998536) is 3-[(1,1-dioxothiolan-3-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide is CC(C)N(CC/C(N)=N/O)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide?
The InChIKey is UDQCBKKUIQXWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-8(2)13(5-3-10(11)12-14)9-4-6-17(15,16)7-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide?
3-[(1,1-dioxothiolan-3-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide has a molecular weight of 263.36 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54998536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).