4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide

C12H24N2O4S — CID 79549781

IUPAC4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-5-13-10-7-18-6-9(10)11(15)14-8-12(2,3)19(4,16)17/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyJUFLMIQGIPUGRU-UHFFFAOYSA-N
MW292.40 g/mol
LogP-0.45
Rot. Bonds6

About 4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide

4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide (PubChem CID 79549781) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide
PubChem CID79549781
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-5-13-10-7-18-6-9(10)11(15)14-8-12(2,3)19(4,16)17/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyJUFLMIQGIPUGRU-UHFFFAOYSA-N
XLogP-0.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 113307998
N-[2-(dimethylamino)-2-methylpropyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66259668
4-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide
CID 106291682
4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide
CID 106255289
N-[2-(methanesulfonamido)-2-methylpropyl]-4-(propylamino)oxolane-3-carboxamide
CID 66254845
4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide
CID 103306914
4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide
CID 66259278
N-(cyclopropylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258449
4-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]oxolane-3-carboxamide
CID 82724349
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66258082
N-[2-(dimethylamino)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257864
4-[(2-methyl-2-methylsulfonylpropyl)amino]oxolan-3-ol
CID 79552094

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide (CID 79549781) is 4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide is CCNC1COCC1C(=O)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide?
The InChIKey is JUFLMIQGIPUGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-5-13-10-7-18-6-9(10)11(15)14-8-12(2,3)19(4,16)17/h9-10,13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide?
4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide has a molecular weight of 292.40 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide is sourced from PubChem (CID 79549781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).