2-[3-(ethylamino)butan-2-ylsulfonyl]-1-pyrrolidin-1-ylethanone

C12H24N2O3S — CID 114236176

IUPAC2-[3-(ethylamino)butan-2-ylsulfonyl]-1-pyrrolidin-1-ylethanone
SMILESCCNC(C)C(C)S(=O)(=O)CC(=O)N1CCCC1
InChIInChI=1S/C12H24N2O3S/c1-4-13-10(2)11(3)18(16,17)9-12(15)14-7-5-6-8-14/h10-11,13H,4-9H2,1-3H3
InChIKeyAIGDCXMJVDGHGH-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.41
Rot. Bonds6

About 2-[3-(ethylamino)butan-2-ylsulfonyl]-1-pyrrolidin-1-ylethanone

2-[3-(ethylamino)butan-2-ylsulfonyl]-1-pyrrolidin-1-ylethanone (PubChem CID 114236176) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-[3-(ethylamino)butan-2-ylsulfonyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(ethylamino)butan-2-ylsulfonyl]-1-pyrrolidin-1-ylethanone
PubChem CID114236176
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-[3-(ethylamino)butan-2-ylsulfonyl]-1-pyrrolidin-1-ylethanone
SMILESCCNC(C)C(C)S(=O)(=O)CC(=O)N1CCCC1
InChIInChI=1S/C12H24N2O3S/c1-4-13-10(2)11(3)18(16,17)9-12(15)14-7-5-6-8-14/h10-11,13H,4-9H2,1-3H3
InChIKeyAIGDCXMJVDGHGH-UHFFFAOYSA-N
XLogP0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone
CID 114236172
methyl 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoate
CID 114235836
4-(2-oxo-2-piperidin-1-ylethyl)sulfonylpentan-2-one
CID 114236346
2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone
CID 81195027
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
2-(3-methylbutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43086362
1-(azepan-1-yl)-2-(3-methylpentan-2-ylamino)ethanone
CID 54950649
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propan-2-ylmethanesulfonamide
CID 113147650
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)ethanesulfonamide
CID 112687583
4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoic acid
CID 114236357
(2S)-2-[[2-(azocan-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194502
1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
CID 43179556

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)butan-2-ylsulfonyl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-(ethylamino)butan-2-ylsulfonyl]-1-pyrrolidin-1-ylethanone (CID 114236176) is 2-[3-(ethylamino)butan-2-ylsulfonyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-(ethylamino)butan-2-ylsulfonyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-(ethylamino)butan-2-ylsulfonyl]-1-pyrrolidin-1-ylethanone is CCNC(C)C(C)S(=O)(=O)CC(=O)N1CCCC1.
What is the InChIKey of 2-[3-(ethylamino)butan-2-ylsulfonyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is AIGDCXMJVDGHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-4-13-10(2)11(3)18(16,17)9-12(15)14-7-5-6-8-14/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-[3-(ethylamino)butan-2-ylsulfonyl]-1-pyrrolidin-1-ylethanone?
2-[3-(ethylamino)butan-2-ylsulfonyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 276.40 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)butan-2-ylsulfonyl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 114236176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).