1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide

C13H24N4O2S2 — CID 106091562

IUPAC1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide
SMILESCCSC1CCC(NS(=O)(=O)c2cnn(CCCN)c2)C1
InChIInChI=1S/C13H24N4O2S2/c1-2-20-12-5-4-11(8-12)16-21(18,19)13-9-15-17(10-13)7-3-6-14/h9-12,16H,2-8,14H2,1H3
InChIKeyAPGCBSDJJORRBC-UHFFFAOYSA-N
MW332.50 g/mol
LogP1.18
Rot. Bonds8

About 1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide

1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide (PubChem CID 106091562) has the molecular formula C13H24N4O2S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide
PubChem CID106091562
Molecular FormulaC13H24N4O2S2
Molecular Weight332.50 g/mol
Exact Mass332.13
IUPAC Name1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide
SMILESCCSC1CCC(NS(=O)(=O)c2cnn(CCCN)c2)C1
InChIInChI=1S/C13H24N4O2S2/c1-2-20-12-5-4-11(8-12)16-21(18,19)13-9-15-17(10-13)7-3-6-14/h9-12,16H,2-8,14H2,1H3
InChIKeyAPGCBSDJJORRBC-UHFFFAOYSA-N
XLogP1.18
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-aminopropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025603
1-(3-aminopropyl)-N-(4,4-dimethylcyclohexyl)pyrazole-4-sulfonamide
CID 106068970
1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide
CID 106069166
N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 114123634
1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025089
5-(aminomethyl)-1-ethyl-N-(3-ethylsulfanylcyclopentyl)pyrrole-3-sulfonamide
CID 106091498
1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 106072292
4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide
CID 113242763
3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide
CID 106091483
4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106091522
N-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide
CID 154569315
1-[2-(ethylamino)ethyl]-N-(thian-4-yl)pyrazole-4-sulfonamide
CID 106084347

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide (CID 106091562) is 1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide is CCSC1CCC(NS(=O)(=O)c2cnn(CCCN)c2)C1.
What is the InChIKey of 1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide?
The InChIKey is APGCBSDJJORRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S2/c1-2-20-12-5-4-11(8-12)16-21(18,19)13-9-15-17(10-13)7-3-6-14/h9-12,16H,2-8,14H2,1H3.
What are the key properties of 1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide?
1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide has a molecular weight of 332.50 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106091562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).