3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide

C14H21FN2O2S2 — CID 106091483

IUPAC3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide
SMILESCCSC1CCC(NS(=O)(=O)c2ccc(F)c(CN)c2)C1
InChIInChI=1S/C14H21FN2O2S2/c1-2-20-12-4-3-11(8-12)17-21(18,19)13-5-6-14(15)10(7-13)9-16/h5-7,11-12,17H,2-4,8-9,16H2,1H3
InChIKeyXRHHWZQBXBRZJY-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.24
Rot. Bonds6

About 3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide

3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide (PubChem CID 106091483) has the molecular formula C14H21FN2O2S2 and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide
PubChem CID106091483
Molecular FormulaC14H21FN2O2S2
Molecular Weight332.47 g/mol
Exact Mass332.10
IUPAC Name3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide
SMILESCCSC1CCC(NS(=O)(=O)c2ccc(F)c(CN)c2)C1
InChIInChI=1S/C14H21FN2O2S2/c1-2-20-12-4-3-11(8-12)17-21(18,19)13-5-6-14(15)10(7-13)9-16/h5-7,11-12,17H,2-4,8-9,16H2,1H3
InChIKeyXRHHWZQBXBRZJY-UHFFFAOYSA-N
XLogP2.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
CID 106001324
3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide
CID 28716664
4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide
CID 113242763
3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551938
5-(aminomethyl)-1-ethyl-N-(3-ethylsulfanylcyclopentyl)pyrrole-3-sulfonamide
CID 106091498
4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106091522
3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 63288721
N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 114123634
3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63287982
3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 63288235
N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106001330
1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide
CID 106091562

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide (CID 106091483) is 3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide is CCSC1CCC(NS(=O)(=O)c2ccc(F)c(CN)c2)C1.
What is the InChIKey of 3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide?
The InChIKey is XRHHWZQBXBRZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S2/c1-2-20-12-4-3-11(8-12)17-21(18,19)13-5-6-14(15)10(7-13)9-16/h5-7,11-12,17H,2-4,8-9,16H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide?
3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide has a molecular weight of 332.47 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 106091483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).