4-(3-formylpiperidin-1-yl)-N-methylbenzenesulfonamide

C13H18N2O3S — CID 62664693

IUPAC4-(3-formylpiperidin-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCCC(C=O)C2)cc1
InChIInChI=1S/C13H18N2O3S/c1-14-19(17,18)13-6-4-12(5-7-13)15-8-2-3-11(9-15)10-16/h4-7,10-11,14H,2-3,8-9H2,1H3
InChIKeyHNTPGUHCBFEKDK-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.01
Rot. Bonds4

About 4-(3-formylpiperidin-1-yl)-N-methylbenzenesulfonamide

4-(3-formylpiperidin-1-yl)-N-methylbenzenesulfonamide (PubChem CID 62664693) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-(3-formylpiperidin-1-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-formylpiperidin-1-yl)-N-methylbenzenesulfonamide
PubChem CID62664693
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name4-(3-formylpiperidin-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCCC(C=O)C2)cc1
InChIInChI=1S/C13H18N2O3S/c1-14-19(17,18)13-6-4-12(5-7-13)15-8-2-3-11(9-15)10-16/h4-7,10-11,14H,2-3,8-9H2,1H3
InChIKeyHNTPGUHCBFEKDK-UHFFFAOYSA-N
XLogP1.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-formylpiperidin-1-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(3-formylpiperidin-1-yl)-N-methylbenzenesulfonamide (CID 62664693) is 4-(3-formylpiperidin-1-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(3-formylpiperidin-1-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(3-formylpiperidin-1-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCCC(C=O)C2)cc1.
What is the InChIKey of 4-(3-formylpiperidin-1-yl)-N-methylbenzenesulfonamide?
The InChIKey is HNTPGUHCBFEKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-14-19(17,18)13-6-4-12(5-7-13)15-8-2-3-11(9-15)10-16/h4-7,10-11,14H,2-3,8-9H2,1H3.
What are the key properties of 4-(3-formylpiperidin-1-yl)-N-methylbenzenesulfonamide?
4-(3-formylpiperidin-1-yl)-N-methylbenzenesulfonamide has a molecular weight of 282.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-formylpiperidin-1-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 62664693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).