5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylfuran-3-sulfonamide

C15H24N2O3S — CID 106059653

IUPAC5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylfuran-3-sulfonamide
SMILESCc1oc(CN)cc1S(=O)(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C15H24N2O3S/c1-9(14-6-11-3-4-12(14)5-11)17-21(18,19)15-7-13(8-16)20-10(15)2/h7,9,11-12,14,17H,3-6,8,16H2,1-2H3
InChIKeyYKTLPBCZKXTKSF-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.15
Rot. Bonds5

About 5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylfuran-3-sulfonamide

5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylfuran-3-sulfonamide (PubChem CID 106059653) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylfuran-3-sulfonamide
PubChem CID106059653
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylfuran-3-sulfonamide
SMILESCc1oc(CN)cc1S(=O)(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C15H24N2O3S/c1-9(14-6-11-3-4-12(14)5-11)17-21(18,19)15-7-13(8-16)20-10(15)2/h7,9,11-12,14,17H,3-6,8,16H2,1-2H3
InChIKeyYKTLPBCZKXTKSF-UHFFFAOYSA-N
XLogP2.15
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylfuran-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylfuran-3-sulfonamide (CID 106059653) is 5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylfuran-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylfuran-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylfuran-3-sulfonamide is Cc1oc(CN)cc1S(=O)(=O)NC(C)C1CC2CCC1C2.
What is the InChIKey of 5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylfuran-3-sulfonamide?
The InChIKey is YKTLPBCZKXTKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-9(14-6-11-3-4-12(14)5-11)17-21(18,19)15-7-13(8-16)20-10(15)2/h7,9,11-12,14,17H,3-6,8,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylfuran-3-sulfonamide?
5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylfuran-3-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 106059653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).