4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide

C13H26N2O2S — CID 114127316

IUPAC4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCCCCCSC
InChIInChI=1S/C13H26N2O2S/c1-3-14-12-10-17-9-11(12)13(16)15-7-5-4-6-8-18-2/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyTWUMAYJCFCQHOD-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.26
Rot. Bonds9

About 4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide

4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide (PubChem CID 114127316) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide
PubChem CID114127316
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCCCCCSC
InChIInChI=1S/C13H26N2O2S/c1-3-14-12-10-17-9-11(12)13(16)15-7-5-4-6-8-18-2/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyTWUMAYJCFCQHOD-UHFFFAOYSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide
CID 113487594
7-[[4-(ethylamino)oxolane-3-carbonyl]amino]heptanoic acid
CID 66257729
4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide
CID 106221939
4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide
CID 82941679
4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]oxolane-3-carboxamide
CID 66259488
N-[2-(dimethylamino)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257864
4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide
CID 66259278
6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid
CID 66256152
N-hexyl-4-(methylamino)oxolane-3-carboxamide
CID 66266175
4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836138
N-(cyclopropylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258449
4-(ethylamino)-N-(2-morpholin-4-ylethyl)oxolane-3-carboxamide
CID 66260000

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide (CID 114127316) is 4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide is CCNC1COCC1C(=O)NCCCCCSC.
What is the InChIKey of 4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide?
The InChIKey is TWUMAYJCFCQHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-3-14-12-10-17-9-11(12)13(16)15-7-5-4-6-8-18-2/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide?
4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide has a molecular weight of 274.43 g/mol, XLogP of 1.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide is sourced from PubChem (CID 114127316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).