N-(2-piperidin-4-yloxyethyl)methanesulfonamide

C8H18N2O3S — CID 20511189

IUPACN-(2-piperidin-4-yloxyethyl)methanesulfonamide
SMILESCS(=O)(=O)NCCOC1CCNCC1
InChIInChI=1S/C8H18N2O3S/c1-14(11,12)10-6-7-13-8-2-4-9-5-3-8/h8-10H,2-7H2,1H3
InChIKeyHQRQCUWGEYFNQQ-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.70
Rot. Bonds5

About N-(2-piperidin-4-yloxyethyl)methanesulfonamide

N-(2-piperidin-4-yloxyethyl)methanesulfonamide (PubChem CID 20511189) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(2-piperidin-4-yloxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-piperidin-4-yloxyethyl)methanesulfonamide
PubChem CID20511189
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-(2-piperidin-4-yloxyethyl)methanesulfonamide
SMILESCS(=O)(=O)NCCOC1CCNCC1
InChIInChI=1S/C8H18N2O3S/c1-14(11,12)10-6-7-13-8-2-4-9-5-3-8/h8-10H,2-7H2,1H3
InChIKeyHQRQCUWGEYFNQQ-UHFFFAOYSA-N
XLogP-0.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-4-yloxyethyl)methanesulfonamide?
The IUPAC name of N-(2-piperidin-4-yloxyethyl)methanesulfonamide (CID 20511189) is N-(2-piperidin-4-yloxyethyl)methanesulfonamide.
What is the SMILES notation for N-(2-piperidin-4-yloxyethyl)methanesulfonamide?
The canonical SMILES for N-(2-piperidin-4-yloxyethyl)methanesulfonamide is CS(=O)(=O)NCCOC1CCNCC1.
What is the InChIKey of N-(2-piperidin-4-yloxyethyl)methanesulfonamide?
The InChIKey is HQRQCUWGEYFNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-14(11,12)10-6-7-13-8-2-4-9-5-3-8/h8-10H,2-7H2,1H3.
What are the key properties of N-(2-piperidin-4-yloxyethyl)methanesulfonamide?
N-(2-piperidin-4-yloxyethyl)methanesulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-4-yloxyethyl)methanesulfonamide is sourced from PubChem (CID 20511189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).