4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide

C13H20N2O3S — CID 61146860

IUPAC4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC(CO)CC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-14-19(17,18)13-4-2-12(3-5-13)15-8-6-11(10-16)7-9-15/h2-5,11,14,16H,6-10H2,1H3
InChIKeyAWOVUTMSMSJDBL-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.80
Rot. Bonds4

About 4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide

4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide (PubChem CID 61146860) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
PubChem CID61146860
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC(CO)CC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-14-19(17,18)13-4-2-12(3-5-13)15-8-6-11(10-16)7-9-15/h2-5,11,14,16H,6-10H2,1H3
InChIKeyAWOVUTMSMSJDBL-UHFFFAOYSA-N
XLogP0.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide (CID 61146860) is 4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCC(CO)CC2)cc1.
What is the InChIKey of 4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide?
The InChIKey is AWOVUTMSMSJDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-14-19(17,18)13-4-2-12(3-5-13)15-8-6-11(10-16)7-9-15/h2-5,11,14,16H,6-10H2,1H3.
What are the key properties of 4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide?
4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 61146860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).