N-[(4-methylpiperidin-4-yl)methyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide

C13H25N3O2S — CID 120719865

IUPACN-[(4-methylpiperidin-4-yl)methyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide
SMILESCC1(CNS(=O)(=O)N2CC3CCC2C3)CCNCC1
InChIInChI=1S/C13H25N3O2S/c1-13(4-6-14-7-5-13)10-15-19(17,18)16-9-11-2-3-12(16)8-11/h11-12,14-15H,2-10H2,1H3
InChIKeyFQZFBDXSNXBQLD-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.69
Rot. Bonds4

About N-[(4-methylpiperidin-4-yl)methyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide

N-[(4-methylpiperidin-4-yl)methyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide (PubChem CID 120719865) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[(4-methylpiperidin-4-yl)methyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-methylpiperidin-4-yl)methyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide
PubChem CID120719865
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN-[(4-methylpiperidin-4-yl)methyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide
SMILESCC1(CNS(=O)(=O)N2CC3CCC2C3)CCNCC1
InChIInChI=1S/C13H25N3O2S/c1-13(4-6-14-7-5-13)10-15-19(17,18)16-9-11-2-3-12(16)8-11/h11-12,14-15H,2-10H2,1H3
InChIKeyFQZFBDXSNXBQLD-UHFFFAOYSA-N
XLogP0.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperidin-4-yl)methyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide?
The IUPAC name of N-[(4-methylpiperidin-4-yl)methyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide (CID 120719865) is N-[(4-methylpiperidin-4-yl)methyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide.
What is the SMILES notation for N-[(4-methylpiperidin-4-yl)methyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide?
The canonical SMILES for N-[(4-methylpiperidin-4-yl)methyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide is CC1(CNS(=O)(=O)N2CC3CCC2C3)CCNCC1.
What is the InChIKey of N-[(4-methylpiperidin-4-yl)methyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide?
The InChIKey is FQZFBDXSNXBQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-13(4-6-14-7-5-13)10-15-19(17,18)16-9-11-2-3-12(16)8-11/h11-12,14-15H,2-10H2,1H3.
What are the key properties of N-[(4-methylpiperidin-4-yl)methyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide?
N-[(4-methylpiperidin-4-yl)methyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide has a molecular weight of 287.43 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperidin-4-yl)methyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide is sourced from PubChem (CID 120719865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).