N-(5-amino-5-sulfanylidenepentyl)-2,4,5-trimethyloxolane-3-carboxamide

C13H24N2O2S — CID 65155720

IUPACN-(5-amino-5-sulfanylidenepentyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCCCCC(N)=S)C1C
InChIInChI=1S/C13H24N2O2S/c1-8-9(2)17-10(3)12(8)13(16)15-7-5-4-6-11(14)18/h8-10,12H,4-7H2,1-3H3,(H2,14,18)(H,15,16)
InChIKeyCDPCNKHALBCTOH-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.62
Rot. Bonds6

About N-(5-amino-5-sulfanylidenepentyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(5-amino-5-sulfanylidenepentyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65155720) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-(5-amino-5-sulfanylidenepentyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-sulfanylidenepentyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65155720
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-(5-amino-5-sulfanylidenepentyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCCCCC(N)=S)C1C
InChIInChI=1S/C13H24N2O2S/c1-8-9(2)17-10(3)12(8)13(16)15-7-5-4-6-11(14)18/h8-10,12H,4-7H2,1-3H3,(H2,14,18)(H,15,16)
InChIKeyCDPCNKHALBCTOH-UHFFFAOYSA-N
XLogP1.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152615
2,4,5-trimethyl-N-(3-sulfamoylpropyl)oxolane-3-carboxamide
CID 65159364
N-[3-(2-hydroxyethoxy)propyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 114171186
N-(3-azidopropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65159571
N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
CID 65155196
2,4,5-trimethyl-N-[2-(propylamino)ethyl]oxolane-3-carboxamide
CID 65160186
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 106306241
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65156517
N-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65156063
N-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 106140226
N-(3-bromo-4-methoxybutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 106245062
N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65160276

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-sulfanylidenepentyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(5-amino-5-sulfanylidenepentyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 65155720) is N-(5-amino-5-sulfanylidenepentyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(5-amino-5-sulfanylidenepentyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(5-amino-5-sulfanylidenepentyl)-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NCCCCC(N)=S)C1C.
What is the InChIKey of N-(5-amino-5-sulfanylidenepentyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is CDPCNKHALBCTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-8-9(2)17-10(3)12(8)13(16)15-7-5-4-6-11(14)18/h8-10,12H,4-7H2,1-3H3,(H2,14,18)(H,15,16).
What are the key properties of N-(5-amino-5-sulfanylidenepentyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(5-amino-5-sulfanylidenepentyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 272.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-sulfanylidenepentyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65155720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).