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

C15H24N2O2S2 — CID 106059671

IUPAC5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylthiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C15H24N2O2S2/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
InChIKeyVWCDUOYQPLYBCU-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.62
Rot. Bonds5

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

5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylthiophene-3-sulfonamide (PubChem CID 106059671) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylthiophene-3-sulfonamide
PubChem CID106059671
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylthiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C15H24N2O2S2/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
InChIKeyVWCDUOYQPLYBCU-UHFFFAOYSA-N
XLogP2.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluorobenzenesulfonamide
CID 43255512
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methylbenzenesulfonamide
CID 98371302
4-amino-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98148800
4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98055018
5-(aminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088377
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methoxybenzenesulfonamide
CID 4833444
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methoxybenzenesulfonamide
CID 98607130
5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-2-methylthiophene-3-sulfonamide
CID 106092486
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromothiophene-2-sulfonamide
CID 129430939
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 98392671
5-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)thiophene-3-sulfonamide
CID 114134381
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 19681517

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylthiophene-3-sulfonamide (CID 106059671) is 5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylthiophene-3-sulfonamide is Cc1sc(CN)cc1S(=O)(=O)NC(C)C1CC2CCC1C2.
What is the InChIKey of 5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylthiophene-3-sulfonamide?
The InChIKey is VWCDUOYQPLYBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/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-methylthiophene-3-sulfonamide?
5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylthiophene-3-sulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.62, 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-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106059671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).