3-(ethylamino)-N,N-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-sulfonamide

C10H19N4O2S+ — CID 58824823

IUPAC3-(ethylamino)-N,N-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-sulfonamide
SMILESCCNc1[nH][n+](S(=O)(=O)N(C)C)c2c1CCC2
InChIInChI=1S/C10H18N4O2S/c1-4-11-10-8-6-5-7-9(8)14(12-10)17(15,16)13(2)3/h4-7H2,1-3H3,(H,11,12)/p+1
InChIKeyLONPYXJVTZFSNI-UHFFFAOYSA-O
MW259.35 g/mol
LogP-0.12
Rot. Bonds4

About 3-(ethylamino)-N,N-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-sulfonamide

3-(ethylamino)-N,N-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-sulfonamide (PubChem CID 58824823) has the molecular formula C10H19N4O2S+ and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(ethylamino)-N,N-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N,N-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-sulfonamide
PubChem CID58824823
Molecular FormulaC10H19N4O2S+
Molecular Weight259.35 g/mol
Exact Mass259.12
IUPAC Name3-(ethylamino)-N,N-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-sulfonamide
SMILESCCNc1[nH][n+](S(=O)(=O)N(C)C)c2c1CCC2
InChIInChI=1S/C10H18N4O2S/c1-4-11-10-8-6-5-7-9(8)14(12-10)17(15,16)13(2)3/h4-7H2,1-3H3,(H,11,12)/p+1
InChIKeyLONPYXJVTZFSNI-UHFFFAOYSA-O
XLogP-0.12
TPSA69.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N,N-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-sulfonamide?
The IUPAC name of 3-(ethylamino)-N,N-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-sulfonamide (CID 58824823) is 3-(ethylamino)-N,N-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N,N-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N,N-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-sulfonamide is CCNc1[nH][n+](S(=O)(=O)N(C)C)c2c1CCC2.
What is the InChIKey of 3-(ethylamino)-N,N-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-sulfonamide?
The InChIKey is LONPYXJVTZFSNI-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N4O2S/c1-4-11-10-8-6-5-7-9(8)14(12-10)17(15,16)13(2)3/h4-7H2,1-3H3,(H,11,12)/p+1.
What are the key properties of 3-(ethylamino)-N,N-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-sulfonamide?
3-(ethylamino)-N,N-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-sulfonamide has a molecular weight of 259.35 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N,N-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-sulfonamide is sourced from PubChem (CID 58824823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).