4-methylidene-N-(piperidin-4-ylmethyl)hexane-2-sulfonamide

C13H26N2O2S — CID 134299454

IUPAC4-methylidene-N-(piperidin-4-ylmethyl)hexane-2-sulfonamide
SMILESC=C(CC)CC(C)S(=O)(=O)NCC1CCNCC1
InChIInChI=1S/C13H26N2O2S/c1-4-11(2)9-12(3)18(16,17)15-10-13-5-7-14-8-6-13/h12-15H,2,4-10H2,1,3H3
InChIKeyLJGCBRSTYIGTJT-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.65
Rot. Bonds7

About 4-methylidene-N-(piperidin-4-ylmethyl)hexane-2-sulfonamide

4-methylidene-N-(piperidin-4-ylmethyl)hexane-2-sulfonamide (PubChem CID 134299454) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-methylidene-N-(piperidin-4-ylmethyl)hexane-2-sulfonamide.

Molecular Properties

Compound Name4-methylidene-N-(piperidin-4-ylmethyl)hexane-2-sulfonamide
PubChem CID134299454
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name4-methylidene-N-(piperidin-4-ylmethyl)hexane-2-sulfonamide
SMILESC=C(CC)CC(C)S(=O)(=O)NCC1CCNCC1
InChIInChI=1S/C13H26N2O2S/c1-4-11(2)9-12(3)18(16,17)15-10-13-5-7-14-8-6-13/h12-15H,2,4-10H2,1,3H3
InChIKeyLJGCBRSTYIGTJT-UHFFFAOYSA-N
XLogP1.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-N-(piperidin-4-ylmethyl)hexane-2-sulfonamide?
The IUPAC name of 4-methylidene-N-(piperidin-4-ylmethyl)hexane-2-sulfonamide (CID 134299454) is 4-methylidene-N-(piperidin-4-ylmethyl)hexane-2-sulfonamide.
What is the SMILES notation for 4-methylidene-N-(piperidin-4-ylmethyl)hexane-2-sulfonamide?
The canonical SMILES for 4-methylidene-N-(piperidin-4-ylmethyl)hexane-2-sulfonamide is C=C(CC)CC(C)S(=O)(=O)NCC1CCNCC1.
What is the InChIKey of 4-methylidene-N-(piperidin-4-ylmethyl)hexane-2-sulfonamide?
The InChIKey is LJGCBRSTYIGTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-4-11(2)9-12(3)18(16,17)15-10-13-5-7-14-8-6-13/h12-15H,2,4-10H2,1,3H3.
What are the key properties of 4-methylidene-N-(piperidin-4-ylmethyl)hexane-2-sulfonamide?
4-methylidene-N-(piperidin-4-ylmethyl)hexane-2-sulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-N-(piperidin-4-ylmethyl)hexane-2-sulfonamide is sourced from PubChem (CID 134299454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).