N-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide

C14H29N3O3S — CID 60964211

IUPACN-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide
SMILESCCC(C)C(N)C(=O)N1CCCCC1CCNS(C)(=O)=O
InChIInChI=1S/C14H29N3O3S/c1-4-11(2)13(15)14(18)17-10-6-5-7-12(17)8-9-16-21(3,19)20/h11-13,16H,4-10,15H2,1-3H3
InChIKeyYHEPHRZCMWOQDM-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.68
Rot. Bonds7

About N-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide

N-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 60964211) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID60964211
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide
SMILESCCC(C)C(N)C(=O)N1CCCCC1CCNS(C)(=O)=O
InChIInChI=1S/C14H29N3O3S/c1-4-11(2)13(15)14(18)17-10-6-5-7-12(17)8-9-16-21(3,19)20/h11-13,16H,4-10,15H2,1-3H3
InChIKeyYHEPHRZCMWOQDM-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-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595
(2S,3S)-2-amino-3-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one
CID 83052045
N-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 116676659
N-[2-[1-(2-methoxyacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215593
N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 54875968
tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 65142558
N-[2-[1-(2-pyridin-3-yloxypropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 154739755
N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 103795207
N-[2-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 64891761
(2S,3S)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-3-methylpentan-1-one
CID 102726137
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 61149140
N-[[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 61163603

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide (CID 60964211) is N-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide is CCC(C)C(N)C(=O)N1CCCCC1CCNS(C)(=O)=O.
What is the InChIKey of N-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is YHEPHRZCMWOQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-4-11(2)13(15)14(18)17-10-6-5-7-12(17)8-9-16-21(3,19)20/h11-13,16H,4-10,15H2,1-3H3.
What are the key properties of N-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]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-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 60964211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).