3-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide

C10H21N3O3S — CID 43648778

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

About 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide

3-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide (PubChem CID 43648778) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide
PubChem CID43648778
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name3-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H21N3O3S/c1-3-8(6-10(11)12-14)13(2)9-4-5-17(15,16)7-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyMVDFWUVJDSWHOF-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide (CID 43648778) is 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide?
The InChIKey is MVDFWUVJDSWHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-3-8(6-10(11)12-14)13(2)9-4-5-17(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)-methylamino]-N'-hydroxypentanimidamide?
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide 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)-methylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 43648778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).