N-cyclopentyloxy-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide

C11H13N3O3S2 — CID 83228674

IUPACN-cyclopentyloxy-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
SMILESO=S(=O)(NOC1CCCC1)c1cccc2c1N=S=N2
InChIInChI=1S/C11H13N3O3S2/c15-19(16,14-17-8-4-1-2-5-8)10-7-3-6-9-11(10)13-18-12-9/h3,6-8,14H,1-2,4-5H2
InChIKeyAIPVFVMCVFQZIN-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.57
Rot. Bonds4

About N-cyclopentyloxy-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide

N-cyclopentyloxy-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide (PubChem CID 83228674) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-cyclopentyloxy-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyloxy-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
PubChem CID83228674
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC NameN-cyclopentyloxy-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
SMILESO=S(=O)(NOC1CCCC1)c1cccc2c1N=S=N2
InChIInChI=1S/C11H13N3O3S2/c15-19(16,14-17-8-4-1-2-5-8)10-7-3-6-9-11(10)13-18-12-9/h3,6-8,14H,1-2,4-5H2
InChIKeyAIPVFVMCVFQZIN-UHFFFAOYSA-N
XLogP2.57
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(bromomethyl)cyclopentyl]methyl]-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 114295341
methyl 2-(cyclopentyloxysulfamoyl)benzoate
CID 83229069
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 104972614
N-cyclopentyloxy-2-nitrobenzenesulfonamide
CID 83228764
N-[(4S)-4-methoxypyrrolidin-3-yl]-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 43597245
N-[1-bromo-2-(bromomethyl)butan-2-yl]-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 107868251
N-(4-iodobutyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 106846635
N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide
CID 83228380
N-(3-bromo-2,2-dimethylpropyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 113295109
N-[(E)-4-chlorobut-2-enyl]-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 81429633
4-bromo-N-cyclopentyloxybenzenesulfonamide
CID 83229066
2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide
CID 83229495

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide?
The IUPAC name of N-cyclopentyloxy-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide (CID 83228674) is N-cyclopentyloxy-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide.
What is the SMILES notation for N-cyclopentyloxy-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide?
The canonical SMILES for N-cyclopentyloxy-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide is O=S(=O)(NOC1CCCC1)c1cccc2c1N=S=N2.
What is the InChIKey of N-cyclopentyloxy-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide?
The InChIKey is AIPVFVMCVFQZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c15-19(16,14-17-8-4-1-2-5-8)10-7-3-6-9-11(10)13-18-12-9/h3,6-8,14H,1-2,4-5H2.
What are the key properties of N-cyclopentyloxy-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide?
N-cyclopentyloxy-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide has a molecular weight of 299.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide is sourced from PubChem (CID 83228674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).