N-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide

C14H27N3O3S — CID 116676659

IUPACN-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCC(C(=O)N1CCCCC1CCNS(C)(=O)=O)C1CNC1
InChIInChI=1S/C14H27N3O3S/c1-11(12-9-15-10-12)14(18)17-8-4-3-5-13(17)6-7-16-21(2,19)20/h11-13,15-16H,3-10H2,1-2H3
InChIKeyJWDMHBGYEQSZPJ-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.16
Rot. Bonds6

About N-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide

N-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 116676659) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID116676659
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCC(C(=O)N1CCCCC1CCNS(C)(=O)=O)C1CNC1
InChIInChI=1S/C14H27N3O3S/c1-11(12-9-15-10-12)14(18)17-8-4-3-5-13(17)6-7-16-21(2,19)20/h11-13,15-16H,3-10H2,1-2H3
InChIKeyJWDMHBGYEQSZPJ-UHFFFAOYSA-N
XLogP0.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.16
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
2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 116674562
N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 54875968
2-(azetidin-3-yl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107218055
2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107217840
N-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 60964211
N-[2-[1-(2-methoxyacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215593
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-[2-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 119727534
N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 79202830
N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 92634332

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide (CID 116676659) is N-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide is CC(C(=O)N1CCCCC1CCNS(C)(=O)=O)C1CNC1.
What is the InChIKey of N-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is JWDMHBGYEQSZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-11(12-9-15-10-12)14(18)17-8-4-3-5-13(17)6-7-16-21(2,19)20/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of N-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 317.46 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 116676659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).