2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone

C11H22N2O3S — CID 114236172

IUPAC2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone
SMILESCCC(N)C(C)S(=O)(=O)CC(=O)N1CCCC1
InChIInChI=1S/C11H22N2O3S/c1-3-10(12)9(2)17(15,16)8-11(14)13-6-4-5-7-13/h9-10H,3-8,12H2,1-2H3
InChIKeyVJKHQAJRJFLNRW-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.15
Rot. Bonds5

About 2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone

2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone (PubChem CID 114236172) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone
PubChem CID114236172
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone
SMILESCCC(N)C(C)S(=O)(=O)CC(=O)N1CCCC1
InChIInChI=1S/C11H22N2O3S/c1-3-10(12)9(2)17(15,16)8-11(14)13-6-4-5-7-13/h9-10H,3-8,12H2,1-2H3
InChIKeyVJKHQAJRJFLNRW-UHFFFAOYSA-N
XLogP0.15
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoate
CID 114235836
2-[3-(ethylamino)butan-2-ylsulfonyl]-1-pyrrolidin-1-ylethanone
CID 114236176
2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone
CID 81195027
4-(2-oxo-2-piperidin-1-ylethyl)sulfonylpentan-2-one
CID 114236346
N-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113137008
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propan-2-ylmethanesulfonamide
CID 113147650
2-(5-aminohexylsulfonyl)-1-pyrrolidin-1-ylethanone
CID 114236177
2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid
CID 43186071
1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 119595149
4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoic acid
CID 114236357
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone (CID 114236172) is 2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone is CCC(N)C(C)S(=O)(=O)CC(=O)N1CCCC1.
What is the InChIKey of 2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is VJKHQAJRJFLNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-10(12)9(2)17(15,16)8-11(14)13-6-4-5-7-13/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone?
2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 262.37 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 114236172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).