4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide

C13H24N4O2S2 — CID 106093464

IUPAC4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NC1CCCC1SCC
InChIInChI=1S/C13H24N4O2S2/c1-3-14-8-10-9-15-16-13(10)21(18,19)17-11-6-5-7-12(11)20-4-2/h9,11-12,14,17H,3-8H2,1-2H3,(H,15,16)
InChIKeyOCWHXQKIXXARQZ-UHFFFAOYSA-N
MW332.50 g/mol
LogP1.47
Rot. Bonds8

About 4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide

4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106093464) has the molecular formula C13H24N4O2S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
PubChem CID106093464
Molecular FormulaC13H24N4O2S2
Molecular Weight332.50 g/mol
Exact Mass332.13
IUPAC Name4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NC1CCCC1SCC
InChIInChI=1S/C13H24N4O2S2/c1-3-14-8-10-9-15-16-13(10)21(18,19)17-11-6-5-7-12(11)20-4-2/h9,11-12,14,17H,3-8H2,1-2H3,(H,15,16)
InChIKeyOCWHXQKIXXARQZ-UHFFFAOYSA-N
XLogP1.47
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106027691
N-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106075100
4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106086431
4-(methylaminomethyl)-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106064257
N-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106068893
4-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106064191
N-(2-ethylcyclohexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106002887
4-(ethylaminomethyl)-N-(2-methyloxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 106094012
4-(methylaminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106076678
4-(ethylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 106094891
5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide
CID 113249327
N-(2-ethylsulfanylcyclopentyl)ethanesulfonamide
CID 103727787

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide (CID 106093464) is 4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide is CCNCc1cn[nH]c1S(=O)(=O)NC1CCCC1SCC.
What is the InChIKey of 4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is OCWHXQKIXXARQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S2/c1-3-14-8-10-9-15-16-13(10)21(18,19)17-11-6-5-7-12(11)20-4-2/h9,11-12,14,17H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide?
4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 332.50 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106093464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).