2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide

C10H22N2O5S2 — CID 55252432

IUPAC2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NCCOC1CCNCC1
InChIInChI=1S/C10H22N2O5S2/c1-18(13,14)8-9-19(15,16)12-6-7-17-10-2-4-11-5-3-10/h10-12H,2-9H2,1H3
InChIKeyQZVFQXBMLKUXIE-UHFFFAOYSA-N
MW314.43 g/mol
LogP-1.28
Rot. Bonds8

About 2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide

2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide (PubChem CID 55252432) has the molecular formula C10H22N2O5S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide
PubChem CID55252432
Molecular FormulaC10H22N2O5S2
Molecular Weight314.43 g/mol
Exact Mass314.10
IUPAC Name2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NCCOC1CCNCC1
InChIInChI=1S/C10H22N2O5S2/c1-18(13,14)8-9-19(15,16)12-6-7-17-10-2-4-11-5-3-10/h10-12H,2-9H2,1H3
InChIKeyQZVFQXBMLKUXIE-UHFFFAOYSA-N
XLogP-1.28
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate
CID 55250997
methyl 2-(2-piperidin-4-yloxyethylsulfamoyl)acetate
CID 63870829
N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide
CID 63869320
2-methylsulfonyl-N-(piperidin-4-ylmethyl)ethanesulfonamide
CID 63245223
1-phenyl-N-(2-piperidin-4-yloxyethyl)methanesulfonamide
CID 63871482
2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline
CID 63870510
2-amino-N-(2-cyclohexyloxyethyl)ethanesulfonamide
CID 63827888
4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
CID 63870153
4-methylsulfonyl-1-piperidin-4-yloxybutan-2-one
CID 116571164
2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide
CID 63245397
N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 63871314
N-(2-cyclopentyloxyethyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106064537

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide?
The IUPAC name of 2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide (CID 55252432) is 2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide.
What is the SMILES notation for 2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide?
The canonical SMILES for 2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)NCCOC1CCNCC1.
What is the InChIKey of 2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide?
The InChIKey is QZVFQXBMLKUXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O5S2/c1-18(13,14)8-9-19(15,16)12-6-7-17-10-2-4-11-5-3-10/h10-12H,2-9H2,1H3.
What are the key properties of 2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide?
2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide has a molecular weight of 314.43 g/mol, XLogP of -1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide is sourced from PubChem (CID 55252432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).