N-(1-amino-1-sulfanylidenepropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide

C11H20N2O2S — CID 65156517

IUPACN-(1-amino-1-sulfanylidenepropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC(NC(=O)C1C(C)OC(C)C1C)C(N)=S
InChIInChI=1S/C11H20N2O2S/c1-5-7(3)15-8(4)9(5)11(14)13-6(2)10(12)16/h5-9H,1-4H3,(H2,12,16)(H,13,14)
InChIKeyOUVUOMWUULMCRQ-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.84
Rot. Bonds3

About N-(1-amino-1-sulfanylidenepropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide

N-(1-amino-1-sulfanylidenepropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65156517) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65156517
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(1-amino-1-sulfanylidenepropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC(NC(=O)C1C(C)OC(C)C1C)C(N)=S
InChIInChI=1S/C11H20N2O2S/c1-5-7(3)15-8(4)9(5)11(14)13-6(2)10(12)16/h5-9H,1-4H3,(H2,12,16)(H,13,14)
InChIKeyOUVUOMWUULMCRQ-UHFFFAOYSA-N
XLogP0.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152322
N-(1-chloro-3-methylbutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 114305647
N-(5-amino-5-sulfanylidenepentyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65155720
N-(2-amino-3-hydroxybutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65160350
N-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65156063
N-(1-aminopentan-3-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152668
N-(1-chloro-4-methylpentan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 113272545
(2S)-3-hydroxy-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid
CID 65156844
N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
CID 65155196
N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65160276
N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 115309214
2,4,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide
CID 114167912

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide (CID 65156517) is N-(1-amino-1-sulfanylidenepropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide is CC(NC(=O)C1C(C)OC(C)C1C)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is OUVUOMWUULMCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-5-7(3)15-8(4)9(5)11(14)13-6(2)10(12)16/h5-9H,1-4H3,(H2,12,16)(H,13,14).
What are the key properties of N-(1-amino-1-sulfanylidenepropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65156517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).