4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)thiophene-2-sulfonamide

C13H20N2O2S2 — CID 106064093

IUPAC4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)NCC2CC3CCC2C3)c1
InChIInChI=1S/C13H20N2O2S2/c14-6-10-5-13(18-8-10)19(16,17)15-7-12-4-9-1-2-11(12)3-9/h5,8-9,11-12,15H,1-4,6-7,14H2
InChIKeyYWOZGDSMCPXLDR-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.92
Rot. Bonds5

About 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)thiophene-2-sulfonamide

4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)thiophene-2-sulfonamide (PubChem CID 106064093) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)thiophene-2-sulfonamide
PubChem CID106064093
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)NCC2CC3CCC2C3)c1
InChIInChI=1S/C13H20N2O2S2/c14-6-10-5-13(18-8-10)19(16,17)15-7-12-4-9-1-2-11(12)3-9/h5,8-9,11-12,15H,1-4,6-7,14H2
InChIKeyYWOZGDSMCPXLDR-UHFFFAOYSA-N
XLogP1.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide
CID 106064052
4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide
CID 106084527
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethylfuran-3-sulfonamide
CID 106064030
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)ethanesulfonamide
CID 63681923
4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)thiophene-2-sulfonamide
CID 106014991
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide
CID 63689393
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-4-methylbenzenesulfonamide
CID 63689047
4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 63683453
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 51027081
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzenesulfonamide
CID 81441291
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106064066
4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-bromothiophene-2-carboxylic acid
CID 63683280

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)thiophene-2-sulfonamide (CID 106064093) is 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)thiophene-2-sulfonamide is NCc1csc(S(=O)(=O)NCC2CC3CCC2C3)c1.
What is the InChIKey of 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)thiophene-2-sulfonamide?
The InChIKey is YWOZGDSMCPXLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c14-6-10-5-13(18-8-10)19(16,17)15-7-12-4-9-1-2-11(12)3-9/h5,8-9,11-12,15H,1-4,6-7,14H2.
What are the key properties of 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)thiophene-2-sulfonamide?
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)thiophene-2-sulfonamide has a molecular weight of 300.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106064093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).