N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide

C13H23N3O3S — CID 83024047

IUPACN-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NN2CCCCC2)o1
InChIInChI=1S/C13H23N3O3S/c1-11(2)14-10-12-6-7-13(19-12)20(17,18)15-16-8-4-3-5-9-16/h6-7,11,14-15H,3-5,8-10H2,1-2H3
InChIKeyMEPMGKUHEWBICO-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.46
Rot. Bonds6

About N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide

N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide (PubChem CID 83024047) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
PubChem CID83024047
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NN2CCCCC2)o1
InChIInChI=1S/C13H23N3O3S/c1-11(2)14-10-12-6-7-13(19-12)20(17,18)15-16-8-4-3-5-9-16/h6-7,11,14-15H,3-5,8-10H2,1-2H3
InChIKeyMEPMGKUHEWBICO-UHFFFAOYSA-N
XLogP1.46
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide?
The IUPAC name of N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide (CID 83024047) is N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide.
What is the SMILES notation for N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide?
The canonical SMILES for N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide is CC(C)NCc1ccc(S(=O)(=O)NN2CCCCC2)o1.
What is the InChIKey of N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide?
The InChIKey is MEPMGKUHEWBICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-11(2)14-10-12-6-7-13(19-12)20(17,18)15-16-8-4-3-5-9-16/h6-7,11,14-15H,3-5,8-10H2,1-2H3.
What are the key properties of N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide?
N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide is sourced from PubChem (CID 83024047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).