N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide

C14H29N3O3S — CID 65290824

IUPACN-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide
SMILESCC(C)(CCN)CCC(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C14H29N3O3S/c1-14(2,8-9-15)7-4-13(18)17-10-5-12(6-11-17)16-21(3,19)20/h12,16H,4-11,15H2,1-3H3
InChIKeyMNAKYMVABJYLLN-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.68
Rot. Bonds7

About N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide

N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide (PubChem CID 65290824) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide
PubChem CID65290824
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide
SMILESCC(C)(CCN)CCC(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C14H29N3O3S/c1-14(2,8-9-15)7-4-13(18)17-10-5-12(6-11-17)16-21(3,19)20/h12,16H,4-11,15H2,1-3H3
InChIKeyMNAKYMVABJYLLN-UHFFFAOYSA-N
XLogP0.68
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide
CID 54870016
6-amino-1-(4-hydroxypiperidin-1-yl)-4,4-dimethylhexan-1-one
CID 65293101
N-(1-butanoylpiperidin-4-yl)methanesulfonamide
CID 60708278
methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate
CID 110819832
N-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 55484384
N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide
CID 103155078
N-[1-(2-amino-2-ethylbutanoyl)piperidin-4-yl]methanesulfonamide
CID 79809795
6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one
CID 107222893
6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one
CID 65291131
N-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide
CID 61164096
4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide
CID 65290869
6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one
CID 65291006

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide (CID 65290824) is N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide is CC(C)(CCN)CCC(=O)N1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is MNAKYMVABJYLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-14(2,8-9-15)7-4-13(18)17-10-5-12(6-11-17)16-21(3,19)20/h12,16H,4-11,15H2,1-3H3.
What are the key properties of N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide?
N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 319.47 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 65290824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).