3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypentanimidamide

C9H19N3O3S — CID 43581535

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19N3O3S/c1-2-8(7-9(10)11-13)12-3-5-16(14,15)6-4-12/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyBHYMPQZYXPFPOP-UHFFFAOYSA-N
MW249.34 g/mol
LogP-0.37
Rot. Bonds4

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypentanimidamide

3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypentanimidamide (PubChem CID 43581535) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypentanimidamide
PubChem CID43581535
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19N3O3S/c1-2-8(7-9(10)11-13)12-3-5-16(14,15)6-4-12/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyBHYMPQZYXPFPOP-UHFFFAOYSA-N
XLogP-0.37
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-0.37
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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Related Compounds

N'-hydroxy-3-thiomorpholin-4-ylpentanimidamide
CID 43367980
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide
CID 43581532
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypropanimidamide
CID 43581534
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2-methylpropanimidamide
CID 43581536
3-(1,1-Dioxo-1,4-thiazinan-4-yl)pentanimidamide
CID 43581552
4-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxybutanimidamide
CID 43648775
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypropanimidamide
CID 43648777
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide
CID 43648778
N-[1-(2-ethylsulfonylethyl)piperidin-4-ylidene]hydroxylamine
CID 43807857
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide
CID 54966234
3-[cyclopropyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide
CID 54997532
3-[(1,1-dioxothiolan-3-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 54998536

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypentanimidamide (CID 43581535) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypentanimidamide?
The InChIKey is BHYMPQZYXPFPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-2-8(7-9(10)11-13)12-3-5-16(14,15)6-4-12/h8,13H,2-7H2,1H3,(H2,10,11).
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypentanimidamide?
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypentanimidamide has a molecular weight of 249.34 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 43581535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).