5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthiophene-2-sulfonamide

C14H22N2O2S2 — CID 63682736

IUPAC5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthiophene-2-sulfonamide
SMILESCN(CC1CC2CCC1C2)S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C14H22N2O2S2/c1-16(9-12-7-10-2-3-11(12)6-10)20(17,18)14-5-4-13(8-15)19-14/h4-5,10-12H,2-3,6-9,15H2,1H3
InChIKeyANPYSYIPWRBCDV-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.26
Rot. Bonds5

About 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthiophene-2-sulfonamide

5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthiophene-2-sulfonamide (PubChem CID 63682736) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthiophene-2-sulfonamide
PubChem CID63682736
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC Name5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthiophene-2-sulfonamide
SMILESCN(CC1CC2CCC1C2)S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C14H22N2O2S2/c1-16(9-12-7-10-2-3-11(12)6-10)20(17,18)14-5-4-13(8-15)19-14/h4-5,10-12H,2-3,6-9,15H2,1H3
InChIKeyANPYSYIPWRBCDV-UHFFFAOYSA-N
XLogP2.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthiophene-2-sulfonamide (CID 63682736) is 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthiophene-2-sulfonamide is CN(CC1CC2CCC1C2)S(=O)(=O)c1ccc(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is ANPYSYIPWRBCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-16(9-12-7-10-2-3-11(12)6-10)20(17,18)14-5-4-13(8-15)19-14/h4-5,10-12H,2-3,6-9,15H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthiophene-2-sulfonamide?
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 314.48 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 63682736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).