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

C13H24N2O2S — CID 55151618

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide
SMILESCC(C)CN(CCC(N)=S)C(=O)C1CCCOC1
InChIInChI=1S/C13H24N2O2S/c1-10(2)8-15(6-5-12(14)18)13(16)11-4-3-7-17-9-11/h10-11H,3-9H2,1-2H3,(H2,14,18)
InChIKeyGEVZAWGQHUKAFE-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.57
Rot. Bonds6

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

N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide (PubChem CID 55151618) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide
PubChem CID55151618
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide
SMILESCC(C)CN(CCC(N)=S)C(=O)C1CCCOC1
InChIInChI=1S/C13H24N2O2S/c1-10(2)8-15(6-5-12(14)18)13(16)11-4-3-7-17-9-11/h10-11H,3-9H2,1-2H3,(H2,14,18)
InChIKeyGEVZAWGQHUKAFE-UHFFFAOYSA-N
XLogP1.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide
CID 63014350
N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-3-carboxamide
CID 107491267
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide
CID 55132762
N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide
CID 83154407
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)azepane-1-carboxamide
CID 79151836
N-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide
CID 62906035
N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide
CID 114457887
N-(2-chloroethyl)-N-ethyloxane-3-carboxamide
CID 63395312
N-(2-cyanopropyl)-N-ethyloxane-3-carboxamide
CID 63014346
N-(3-amino-3-sulfanylidenepropyl)-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide
CID 82103957
(3R)-oxane-3-carbothioamide
CID 96581763
N-(3-amino-3-sulfanylidenepropyl)-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 82103958

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide (CID 55151618) is N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide is CC(C)CN(CCC(N)=S)C(=O)C1CCCOC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide?
The InChIKey is GEVZAWGQHUKAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-10(2)8-15(6-5-12(14)18)13(16)11-4-3-7-17-9-11/h10-11H,3-9H2,1-2H3,(H2,14,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide has a molecular weight of 272.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide is sourced from PubChem (CID 55151618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).