2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one

C13H27N3O3S — CID 60963266

IUPAC2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCN(S(=O)(=O)CCC)CC1
InChIInChI=1S/C13H27N3O3S/c1-4-6-13(3,14)12(17)15-7-9-16(10-8-15)20(18,19)11-5-2/h4-11,14H2,1-3H3
InChIKeyPNXSICAOQRAESS-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.39
Rot. Bonds6

About 2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one

2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one (PubChem CID 60963266) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one
PubChem CID60963266
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCN(S(=O)(=O)CCC)CC1
InChIInChI=1S/C13H27N3O3S/c1-4-6-13(3,14)12(17)15-7-9-16(10-8-15)20(18,19)11-5-2/h4-11,14H2,1-3H3
InChIKeyPNXSICAOQRAESS-UHFFFAOYSA-N
XLogP0.39
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3243096
N-[2-(dimethylamino)ethyl]-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3636220
N-(tert-butyl)-1-(propylsulfonyl)-3-piperidinecarboxamide
CID 6473479
N-[(3S)-1-(4-methylpentanoyl)piperidin-3-yl]methanesulfonamide
CID 36376678
N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]ethanesulfonamide
CID 71684098
(2S)-N-tert-butyl-2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]propanamide
CID 95176161
N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]cyclopropanesulfonamide
CID 124627568
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
CID 119785685
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 119785686
2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]-N-propylsulfonylacetamide
CID 138007109
N-(2-methylpropylsulfonyl)-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 138007110
N-butylsulfonyl-2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 138007111

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one (CID 60963266) is 2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one is CCCC(C)(N)C(=O)N1CCN(S(=O)(=O)CCC)CC1.
What is the InChIKey of 2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one?
The InChIKey is PNXSICAOQRAESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-4-6-13(3,14)12(17)15-7-9-16(10-8-15)20(18,19)11-5-2/h4-11,14H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one?
2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one has a molecular weight of 305.44 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 60963266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).