N-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide

C12H25N3O3S — CID 79809795

IUPACN-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide
SMILESCCC(N)(CC)C(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C12H25N3O3S/c1-4-12(13,5-2)11(16)15-8-6-10(7-9-15)14-19(3,17)18/h10,14H,4-9,13H2,1-3H3
InChIKeyCQXJXYRFCKBXQG-UHFFFAOYSA-N
MW291.42 g/mol
LogP0.04
Rot. Bonds5

About N-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide

N-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide (PubChem CID 79809795) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide
PubChem CID79809795
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide
SMILESCCC(N)(CC)C(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C12H25N3O3S/c1-4-12(13,5-2)11(16)15-8-6-10(7-9-15)14-19(3,17)18/h10,14H,4-9,13H2,1-3H3
InChIKeyCQXJXYRFCKBXQG-UHFFFAOYSA-N
XLogP0.04
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butanoylpiperidin-4-yl)methanesulfonamide
CID 60708278
2-amino-2-ethyl-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
CID 79810147
N-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide
CID 61164096
N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide
CID 65290824
N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methanesulfonamide
CID 61163904
N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide
CID 54870016
N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 61105540
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide
CID 51302071
N-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-4-yl]methanesulfonamide
CID 115448014
methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate
CID 110819832
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide
CID 79201762
4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid
CID 64888155

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide (CID 79809795) is N-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide is CCC(N)(CC)C(=O)N1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is CQXJXYRFCKBXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-4-12(13,5-2)11(16)15-8-6-10(7-9-15)14-19(3,17)18/h10,14H,4-9,13H2,1-3H3.
What are the key properties of N-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide?
N-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 291.42 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 79809795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).