5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide

C10H21N3O3S — CID 54966234

IUPAC5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide
SMILESCN(CCCCC(N)=NO)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H21N3O3S/c1-13(6-3-2-4-10(11)12-14)9-5-7-17(15,16)8-9/h9,14H,2-8H2,1H3,(H2,11,12)
InChIKeyCKLKPORFSNSXGT-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.02
Rot. Bonds6

About 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide

5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide (PubChem CID 54966234) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide
PubChem CID54966234
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide
SMILESCN(CCCCC(N)=NO)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H21N3O3S/c1-13(6-3-2-4-10(11)12-14)9-5-7-17(15,16)8-9/h9,14H,2-8H2,1H3,(H2,11,12)
InChIKeyCKLKPORFSNSXGT-UHFFFAOYSA-N
XLogP0.02
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374536
N'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide
CID 94230169
(3Z)-3-amino-N-(1,1-dioxothiolan-3-yl)-3-hydroxyimino-N-methylpropanamide
CID 43649050
3-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 18801610
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxybutanimidamide
CID 76883640
N-(3-amino-3-sulfanylidenepropyl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-methylpropanamide
CID 43648745
1-(1,1-dioxothiolan-3-yl)-2-hydroxy-1-methylguanidine
CID 62481876
1-(4-bromophenyl)-4-[(1,1-dioxothiolan-3-yl)-methylamino]butan-1-one
CID 43229286
4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
CID 54948412
N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 109026291
4-[(1,1-dioxothiolan-3-yl)-methylamino]-2,2-dimethylbutanimidamide
CID 65252742
5-[cyclopropyl(ethyl)amino]-N'-hydroxypentanimidamide
CID 109374552

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide (CID 54966234) is 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide is CN(CCCCC(N)=NO)C1CCS(=O)(=O)C1.
What is the InChIKey of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide?
The InChIKey is CKLKPORFSNSXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-13(6-3-2-4-10(11)12-14)9-5-7-17(15,16)8-9/h9,14H,2-8H2,1H3,(H2,11,12).
What are the key properties of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide?
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide has a molecular weight of 263.36 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 54966234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).