N-(4-piperidin-4-yloxyphenyl)methanesulfonamide

C12H18N2O3S — CID 19420800

IUPACN-(4-piperidin-4-yloxyphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C12H18N2O3S/c1-18(15,16)14-10-2-4-11(5-3-10)17-12-6-8-13-9-7-12/h2-5,12-14H,6-9H2,1H3
InChIKeyNSUBYQIRKJKSNQ-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.19
Rot. Bonds4

About N-(4-piperidin-4-yloxyphenyl)methanesulfonamide

N-(4-piperidin-4-yloxyphenyl)methanesulfonamide (PubChem CID 19420800) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(4-piperidin-4-yloxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-piperidin-4-yloxyphenyl)methanesulfonamide
PubChem CID19420800
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(4-piperidin-4-yloxyphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C12H18N2O3S/c1-18(15,16)14-10-2-4-11(5-3-10)17-12-6-8-13-9-7-12/h2-5,12-14H,6-9H2,1H3
InChIKeyNSUBYQIRKJKSNQ-UHFFFAOYSA-N
XLogP1.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-4-yloxyphenyl)methanesulfonamide?
The IUPAC name of N-(4-piperidin-4-yloxyphenyl)methanesulfonamide (CID 19420800) is N-(4-piperidin-4-yloxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-piperidin-4-yloxyphenyl)methanesulfonamide?
The canonical SMILES for N-(4-piperidin-4-yloxyphenyl)methanesulfonamide is CS(=O)(=O)Nc1ccc(OC2CCNCC2)cc1.
What is the InChIKey of N-(4-piperidin-4-yloxyphenyl)methanesulfonamide?
The InChIKey is NSUBYQIRKJKSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-18(15,16)14-10-2-4-11(5-3-10)17-12-6-8-13-9-7-12/h2-5,12-14H,6-9H2,1H3.
What are the key properties of N-(4-piperidin-4-yloxyphenyl)methanesulfonamide?
N-(4-piperidin-4-yloxyphenyl)methanesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-4-yloxyphenyl)methanesulfonamide is sourced from PubChem (CID 19420800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).