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

C10H19ClN2O3S — CID 54875968

IUPACN-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCCCN1C(=O)CCl
InChIInChI=1S/C10H19ClN2O3S/c1-17(15,16)12-6-5-9-4-2-3-7-13(9)10(14)8-11/h9,12H,2-8H2,1H3
InChIKeyICZBAHLPSKVVFF-UHFFFAOYSA-N
MW282.79 g/mol
LogP0.55
Rot. Bonds5

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

N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 54875968) has the molecular formula C10H19ClN2O3S and a molecular weight of 282.79 g/mol. Its IUPAC name is N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID54875968
Molecular FormulaC10H19ClN2O3S
Molecular Weight282.79 g/mol
Exact Mass282.08
IUPAC NameN-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCCCN1C(=O)CCl
InChIInChI=1S/C10H19ClN2O3S/c1-17(15,16)12-6-5-9-4-2-3-7-13(9)10(14)8-11/h9,12H,2-8H2,1H3
InChIKeyICZBAHLPSKVVFF-UHFFFAOYSA-N
XLogP0.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-(2-methoxyacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215593
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595
N-[2-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 119727534
tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 65142558
N-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 116676659
N-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 87009534
N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 87009533
2-chloro-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634371
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
N-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 60964211
N-[2-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 64891761
N-[2-[(2S)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 92634423

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide (CID 54875968) is N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1CCCCN1C(=O)CCl.
What is the InChIKey of N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is ICZBAHLPSKVVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O3S/c1-17(15,16)12-6-5-9-4-2-3-7-13(9)10(14)8-11/h9,12H,2-8H2,1H3.
What are the key properties of N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 282.79 g/mol, XLogP of 0.55, 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-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 54875968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).