N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide

C12H24N2O3S — CID 66005027

IUPACN-[(3-hydroxycyclobutyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCC2CC(O)C2)C1
InChIInChI=1S/C12H24N2O3S/c1-9-3-10(2)8-14(7-9)18(16,17)13-6-11-4-12(15)5-11/h9-13,15H,3-8H2,1-2H3
InChIKeyJEQLAMIPYODTIQ-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.57
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide

N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 66005027) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID66005027
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCC2CC(O)C2)C1
InChIInChI=1S/C12H24N2O3S/c1-9-3-10(2)8-14(7-9)18(16,17)13-6-11-4-12(15)5-11/h9-13,15H,3-8H2,1-2H3
InChIKeyJEQLAMIPYODTIQ-UHFFFAOYSA-N
XLogP0.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide (CID 66005027) is N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)NCC2CC(O)C2)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is JEQLAMIPYODTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-9-3-10(2)8-14(7-9)18(16,17)13-6-11-4-12(15)5-11/h9-13,15H,3-8H2,1-2H3.
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 66005027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).