4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide

C13H27N3O4S — CID 66259278

IUPAC4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C13H27N3O4S/c1-4-14-12-10-20-9-11(12)13(17)15-7-6-8-16(5-2)21(3,18)19/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeySEBZOQFOVHFNNI-UHFFFAOYSA-N
MW321.44 g/mol
LogP-0.60
Rot. Bonds9

About 4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide

4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide (PubChem CID 66259278) has the molecular formula C13H27N3O4S and a molecular weight of 321.44 g/mol. Its IUPAC name is 4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide
PubChem CID66259278
Molecular FormulaC13H27N3O4S
Molecular Weight321.44 g/mol
Exact Mass321.17
IUPAC Name4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C13H27N3O4S/c1-4-14-12-10-20-9-11(12)13(17)15-7-6-8-16(5-2)21(3,18)19/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeySEBZOQFOVHFNNI-UHFFFAOYSA-N
XLogP-0.60
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-pent-4-ynyloxolane-3-carboxamide
CID 106221939
7-[[4-(ethylamino)oxolane-3-carbonyl]amino]heptanoic acid
CID 66257729
N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256718
4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide
CID 82941679
4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide
CID 114127316
4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide
CID 79549781
4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide
CID 103306914
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpyrrolidine-3-carboxamide
CID 79388221
4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836138
N-(cyclopropylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258449

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide (CID 66259278) is 4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide is CCNC1COCC1C(=O)NCCCN(CC)S(C)(=O)=O.
What is the InChIKey of 4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide?
The InChIKey is SEBZOQFOVHFNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4S/c1-4-14-12-10-20-9-11(12)13(17)15-7-6-8-16(5-2)21(3,18)19/h11-12,14H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide?
4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide has a molecular weight of 321.44 g/mol, XLogP of -0.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide is sourced from PubChem (CID 66259278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).