4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide

C11H20N4O2S2 — CID 106091522

IUPAC4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
SMILESCCSC1CCC(NS(=O)(=O)c2[nH]ncc2CN)C1
InChIInChI=1S/C11H20N4O2S2/c1-2-18-10-4-3-9(5-10)15-19(16,17)11-8(6-12)7-13-14-11/h7,9-10,15H,2-6,12H2,1H3,(H,13,14)
InChIKeyATBZMESALXXDSS-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.82
Rot. Bonds6

About 4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide

4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106091522) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
PubChem CID106091522
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC Name4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
SMILESCCSC1CCC(NS(=O)(=O)c2[nH]ncc2CN)C1
InChIInChI=1S/C11H20N4O2S2/c1-2-18-10-4-3-9(5-10)15-19(16,17)11-8(6-12)7-13-14-11/h7,9-10,15H,2-6,12H2,1H3,(H,13,14)
InChIKeyATBZMESALXXDSS-UHFFFAOYSA-N
XLogP0.82
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106077357
4-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazole-5-sulfonamide
CID 106087849
3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide
CID 106091483
4-(aminomethyl)-N-(thian-3-yl)-1H-pyrazole-5-sulfonamide
CID 106081474
N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 114123634
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 106075143
N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide
CID 113248074
4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106076683
4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106027691
4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide
CID 106091492
1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide
CID 106091562
5-(aminomethyl)-1-ethyl-N-(3-ethylsulfanylcyclopentyl)pyrrole-3-sulfonamide
CID 106091498

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide (CID 106091522) is 4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide is CCSC1CCC(NS(=O)(=O)c2[nH]ncc2CN)C1.
What is the InChIKey of 4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is ATBZMESALXXDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-2-18-10-4-3-9(5-10)15-19(16,17)11-8(6-12)7-13-14-11/h7,9-10,15H,2-6,12H2,1H3,(H,13,14).
What are the key properties of 4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide?
4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106091522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).