1-[4-(ethylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one

C12H23NO4S — CID 106736622

IUPAC1-[4-(ethylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one
SMILESCCNC1COCC1C(=O)CCS(=O)(=O)C(C)C
InChIInChI=1S/C12H23NO4S/c1-4-13-11-8-17-7-10(11)12(14)5-6-18(15,16)9(2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyGCGCYPHSBYPQQH-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.39
Rot. Bonds7

About 1-[4-(ethylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one

1-[4-(ethylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one (PubChem CID 106736622) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-[4-(ethylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-[4-(ethylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one
PubChem CID106736622
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name1-[4-(ethylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one
SMILESCCNC1COCC1C(=O)CCS(=O)(=O)C(C)C
InChIInChI=1S/C12H23NO4S/c1-4-13-11-8-17-7-10(11)12(14)5-6-18(15,16)9(2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyGCGCYPHSBYPQQH-UHFFFAOYSA-N
XLogP0.39
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(ethylamino)oxolan-3-yl]-3-methylbutan-1-one
CID 116587978
1-[4-(ethylamino)oxolan-3-yl]-3-methylhexan-1-one
CID 116588055
propan-2-yl 4-(ethylamino)oxolane-3-carboxylate
CID 66247148
4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide
CID 103306914
4-(ethylamino)-N-(1-methylsulfonylpropan-2-yl)oxolane-3-carboxamide
CID 66259891
2-ethyl-1-[4-(ethylamino)oxolan-3-yl]butan-1-one
CID 116588173
2-cyclopentyl-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588094
N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66258493
1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 116587714
6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid
CID 66257371
4-(ethylamino)-N-(4-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 83177200
1-[4-(propylamino)oxolan-3-yl]undecan-1-one
CID 116587751

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one?
The IUPAC name of 1-[4-(ethylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one (CID 106736622) is 1-[4-(ethylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one.
What is the SMILES notation for 1-[4-(ethylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one?
The canonical SMILES for 1-[4-(ethylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one is CCNC1COCC1C(=O)CCS(=O)(=O)C(C)C.
What is the InChIKey of 1-[4-(ethylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one?
The InChIKey is GCGCYPHSBYPQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-4-13-11-8-17-7-10(11)12(14)5-6-18(15,16)9(2)3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 1-[4-(ethylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one?
1-[4-(ethylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one has a molecular weight of 277.39 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one is sourced from PubChem (CID 106736622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).