N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide

C12H24N2O3S — CID 61215595

IUPACN-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
SMILESCC(C)C(=O)N1CCCCC1CCNS(C)(=O)=O
InChIInChI=1S/C12H24N2O3S/c1-10(2)12(15)14-9-5-4-6-11(14)7-8-13-18(3,16)17/h10-11,13H,4-9H2,1-3H3
InChIKeyLRDBFYXVIXRSHM-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.96
Rot. Bonds5

About N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide

N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 61215595) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID61215595
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
SMILESCC(C)C(=O)N1CCCCC1CCNS(C)(=O)=O
InChIInChI=1S/C12H24N2O3S/c1-10(2)12(15)14-9-5-4-6-11(14)7-8-13-18(3,16)17/h10-11,13H,4-9H2,1-3H3
InChIKeyLRDBFYXVIXRSHM-UHFFFAOYSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 60964211
N-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 116676659
N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 54875968
N-[2-[1-(2-methoxyacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215593
tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 65142558
1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 63755741
N-[2-[1-(2-pyridin-3-yloxypropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 154739755
N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 87047179
N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 79202830
N-[2-[(2R)-1-(2-methylfuran-3-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 94031800
N-[2-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 64891761
N-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 92632029

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide (CID 61215595) is N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide is CC(C)C(=O)N1CCCCC1CCNS(C)(=O)=O.
What is the InChIKey of N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is LRDBFYXVIXRSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-10(2)12(15)14-9-5-4-6-11(14)7-8-13-18(3,16)17/h10-11,13H,4-9H2,1-3H3.
What are the key properties of N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 61215595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).