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

C11H23N3O3S — CID 60940159

IUPAC2-amino-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H23N3O3S/c1-4-5-11(2,12)10(15)13-6-8-14(9-7-13)18(3,16)17/h4-9,12H2,1-3H3
InChIKeyJTVDUQKCNKXJQB-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.39
Rot. Bonds4

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

2-amino-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one (PubChem CID 60940159) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
PubChem CID60940159
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name2-amino-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H23N3O3S/c1-4-5-11(2,12)10(15)13-6-8-14(9-7-13)18(3,16)17/h4-9,12H2,1-3H3
InChIKeyJTVDUQKCNKXJQB-UHFFFAOYSA-N
XLogP-0.39
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-propanoylpiperidin-3-yl)methanesulfonamide
CID 47180684
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pentanamide
CID 45505491
N-[(3S)-1-(4-methylpentanoyl)piperidin-3-yl]methanesulfonamide
CID 36376678
N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]methanesulfonamide
CID 36395366
2-[methyl(methylsulfonyl)amino]-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 47035938
2-Amino-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
CID 60939910
N-[(3R)-1-propanoylpiperidin-3-yl]methanesulfonamide
CID 93806133
N-[[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 79792104
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
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
CID 119785687
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 119785688

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 2-amino-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one (CID 60940159) is 2-amino-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one is CCCC(C)(N)C(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-amino-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one?
The InChIKey is JTVDUQKCNKXJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-4-5-11(2,12)10(15)13-6-8-14(9-7-13)18(3,16)17/h4-9,12H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one?
2-amino-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one has a molecular weight of 277.39 g/mol, XLogP of -0.39, 4 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-methylsulfonylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 60940159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).