N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxo-N-propylthiane-2-carboxamide

C11H21N3O4S — CID 104521777

IUPACN-(2-amino-2-hydroxyiminoethyl)-1,1-dioxo-N-propylthiane-2-carboxamide
SMILESCCCN(CC(N)=NO)C(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C11H21N3O4S/c1-2-6-14(8-10(12)13-16)11(15)9-5-3-4-7-19(9,17)18/h9,16H,2-8H2,1H3,(H2,12,13)
InChIKeyGLSSZDRVVNBVGO-UHFFFAOYSA-N
MW291.37 g/mol
LogP-0.06
Rot. Bonds5

About N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxo-N-propylthiane-2-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxo-N-propylthiane-2-carboxamide (PubChem CID 104521777) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxo-N-propylthiane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-1,1-dioxo-N-propylthiane-2-carboxamide
PubChem CID104521777
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-1,1-dioxo-N-propylthiane-2-carboxamide
SMILESCCCN(CC(N)=NO)C(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C11H21N3O4S/c1-2-6-14(8-10(12)13-16)11(15)9-5-3-4-7-19(9,17)18/h9,16H,2-8H2,1H3,(H2,12,13)
InChIKeyGLSSZDRVVNBVGO-UHFFFAOYSA-N
XLogP-0.06
TPSA113.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-0.06
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 N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxo-N-propylthiane-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide
CID 77041611
N'-hydroxy-1-(2-methyl-2-methylsulfonylpropanoyl)piperidine-2-carboximidamide
CID 77041724
1-(1,1-dioxothiolane-3-carbonyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77050116
N-(3-amino-3-hydroxyiminopropyl)-N-ethylthiane-2-carboxamide
CID 80595556
N'-hydroxy-2-[4-(thiane-2-carbonyl)piperazin-1-yl]ethanimidamide
CID 80595679
N-(2-amino-2-hydroxyiminoethyl)-N-methylthiane-2-carboxamide
CID 80595904
N-(3-amino-3-hydroxyiminopropyl)-N-methylthiane-2-carboxamide
CID 80596015
N-(2-amino-2-hydroxyiminoethyl)-N-ethylthiane-2-carboxamide
CID 80596016
N-(2-amino-2-hydroxyiminoethyl)-N-propylthiane-2-carboxamide
CID 80596017
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylthiane-2-carboxamide
CID 80596118
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylthiane-2-carboxamide
CID 80596432
N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-ylthiane-2-carboxamide
CID 80596543

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxo-N-propylthiane-2-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxo-N-propylthiane-2-carboxamide (CID 104521777) is N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxo-N-propylthiane-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxo-N-propylthiane-2-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxo-N-propylthiane-2-carboxamide is CCCN(CC(N)=NO)C(=O)C1CCCCS1(=O)=O.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxo-N-propylthiane-2-carboxamide?
The InChIKey is GLSSZDRVVNBVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S/c1-2-6-14(8-10(12)13-16)11(15)9-5-3-4-7-19(9,17)18/h9,16H,2-8H2,1H3,(H2,12,13).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxo-N-propylthiane-2-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxo-N-propylthiane-2-carboxamide has a molecular weight of 291.37 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxo-N-propylthiane-2-carboxamide is sourced from PubChem (CID 104521777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).