N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide

C11H19N5O2S2 — CID 114123634

IUPACN-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide
SMILESCCSC1CCC(NS(=O)(=O)c2cnc(NN)nc2)C1
InChIInChI=1S/C11H19N5O2S2/c1-2-19-9-4-3-8(5-9)16-20(17,18)10-6-13-11(15-12)14-7-10/h6-9,16H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyJMWWEHNSVXLUKO-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.71
Rot. Bonds6

About N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide

N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide (PubChem CID 114123634) has the molecular formula C11H19N5O2S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide
PubChem CID114123634
Molecular FormulaC11H19N5O2S2
Molecular Weight317.44 g/mol
Exact Mass317.10
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide
SMILESCCSC1CCC(NS(=O)(=O)c2cnc(NN)nc2)C1
InChIInChI=1S/C11H19N5O2S2/c1-2-19-9-4-3-8(5-9)16-20(17,18)10-6-13-11(15-12)14-7-10/h6-9,16H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyJMWWEHNSVXLUKO-UHFFFAOYSA-N
XLogP0.71
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide
CID 113242763
1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide
CID 106091562
2-hydrazinyl-N-(1-oxothian-4-yl)pyrimidine-5-sulfonamide
CID 113480161
4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106091522
N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106001330
N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
CID 106001324
3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide
CID 106091483
5-(aminomethyl)-1-ethyl-N-(3-ethylsulfanylcyclopentyl)pyrrole-3-sulfonamide
CID 106091498
5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103724876
N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide
CID 113248074
5-bromo-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103704815
5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide
CID 106272138

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide (CID 114123634) is N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide is CCSC1CCC(NS(=O)(=O)c2cnc(NN)nc2)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The InChIKey is JMWWEHNSVXLUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S2/c1-2-19-9-4-3-8(5-9)16-20(17,18)10-6-13-11(15-12)14-7-10/h6-9,16H,2-5,12H2,1H3,(H,13,14,15).
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide?
N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide has a molecular weight of 317.44 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide is sourced from PubChem (CID 114123634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).