N-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide

C9H16N2O2S — CID 62667262

IUPACN-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide
SMILESNC(=S)CCNC(=O)C1CCCCO1
InChIInChI=1S/C9H16N2O2S/c10-8(14)4-5-11-9(12)7-3-1-2-6-13-7/h7H,1-6H2,(H2,10,14)(H,11,12)
InChIKeyFGIJMLOGGFFIFM-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.35
Rot. Bonds4

About N-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide

N-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide (PubChem CID 62667262) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide
PubChem CID62667262
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide
SMILESNC(=S)CCNC(=O)C1CCCCO1
InChIInChI=1S/C9H16N2O2S/c10-8(14)4-5-11-9(12)7-3-1-2-6-13-7/h7H,1-6H2,(H2,10,14)(H,11,12)
InChIKeyFGIJMLOGGFFIFM-UHFFFAOYSA-N
XLogP0.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(3-amino-3-sulfanylidenepropyl)oxane-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-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide
CID 62212636
N-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide
CID 76952746
ethyl 3-(oxane-2-carbonylamino)propanoate
CID 62213374
N-(4-bromobutyl)oxane-2-carboxamide
CID 106845688
N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889
N-[2-(2-hydroxyethoxy)ethyl]oxane-2-carboxamide
CID 62498272
N-(3-cyanopropyl)oxane-2-carboxamide
CID 62667376
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]oxane-2-carboxamide
CID 62301919
N-(2-oxopropyl)oxane-2-carboxamide
CID 64997273
N-[(1-hydroxycyclopentyl)methyl]oxane-2-carboxamide
CID 65113697
N-(3-amino-3-phenylpropyl)oxane-2-carboxamide
CID 80506763
(2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide
CID 96587677

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide (CID 62667262) is N-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide is NC(=S)CCNC(=O)C1CCCCO1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide?
The InChIKey is FGIJMLOGGFFIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c10-8(14)4-5-11-9(12)7-3-1-2-6-13-7/h7H,1-6H2,(H2,10,14)(H,11,12).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide has a molecular weight of 216.31 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide is sourced from PubChem (CID 62667262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).