4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethylfuran-3-sulfonamide

C15H24N2O3S — CID 106064030

IUPAC4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethylfuran-3-sulfonamide
SMILESCc1oc(C)c(S(=O)(=O)NCC2CC3CCC2C3)c1CN
InChIInChI=1S/C15H24N2O3S/c1-9-14(7-16)15(10(2)20-9)21(18,19)17-8-13-6-11-3-4-12(13)5-11/h11-13,17H,3-8,16H2,1-2H3
InChIKeyRNYJHAMGWOVXRW-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.07
Rot. Bonds5

About 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethylfuran-3-sulfonamide

4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethylfuran-3-sulfonamide (PubChem CID 106064030) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethylfuran-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethylfuran-3-sulfonamide
PubChem CID106064030
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethylfuran-3-sulfonamide
SMILESCc1oc(C)c(S(=O)(=O)NCC2CC3CCC2C3)c1CN
InChIInChI=1S/C15H24N2O3S/c1-9-14(7-16)15(10(2)20-9)21(18,19)17-8-13-6-11-3-4-12(13)5-11/h11-13,17H,3-8,16H2,1-2H3
InChIKeyRNYJHAMGWOVXRW-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide
CID 106092832
4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 63683453
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)ethanesulfonamide
CID 63681923
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)thiophene-2-sulfonamide
CID 106064093
4-(aminomethyl)-2,5-dimethyl-N-(2-methylsulfanylpropyl)furan-3-sulfonamide
CID 114141965
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-4-methylbenzenesulfonamide
CID 63689047
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide
CID 106064052
4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide
CID 106091492
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 51027081
4-(aminomethyl)-2,5-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]furan-3-sulfonamide
CID 106055578
4-(aminomethyl)-N-(1,1-dioxothian-3-yl)-2,5-dimethylfuran-3-sulfonamide
CID 106065911
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide
CID 40597436

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethylfuran-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethylfuran-3-sulfonamide (CID 106064030) is 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethylfuran-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethylfuran-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethylfuran-3-sulfonamide is Cc1oc(C)c(S(=O)(=O)NCC2CC3CCC2C3)c1CN.
What is the InChIKey of 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethylfuran-3-sulfonamide?
The InChIKey is RNYJHAMGWOVXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-9-14(7-16)15(10(2)20-9)21(18,19)17-8-13-6-11-3-4-12(13)5-11/h11-13,17H,3-8,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethylfuran-3-sulfonamide?
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethylfuran-3-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.07, 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)-2,5-dimethylfuran-3-sulfonamide is sourced from PubChem (CID 106064030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).