4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide

C9H18N2O4S — CID 103306914

IUPAC4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NS(=O)(=O)CC
InChIInChI=1S/C9H18N2O4S/c1-3-10-8-6-15-5-7(8)9(12)11-16(13,14)4-2/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyBTQPLTJYOKBMTH-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.92
Rot. Bonds5

About 4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide

4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide (PubChem CID 103306914) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide
PubChem CID103306914
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NS(=O)(=O)CC
InChIInChI=1S/C9H18N2O4S/c1-3-10-8-6-15-5-7(8)9(12)11-16(13,14)4-2/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyBTQPLTJYOKBMTH-UHFFFAOYSA-N
XLogP-0.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide (CID 103306914) is 4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide is CCNC1COCC1C(=O)NS(=O)(=O)CC.
What is the InChIKey of 4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide?
The InChIKey is BTQPLTJYOKBMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-3-10-8-6-15-5-7(8)9(12)11-16(13,14)4-2/h7-8,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide?
4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of -0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide is sourced from PubChem (CID 103306914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).