N-(2-ethoxyethyl)-7H-purine-6-sulfonamide

C9H13N5O3S — CID 5484342

IUPACN-(2-ethoxyethyl)-7H-purine-6-sulfonamide
SMILESCCOCCNS(=O)(=O)c1ncnc2nc[nH]c12
InChIInChI=1S/C9H13N5O3S/c1-2-17-4-3-14-18(15,16)9-7-8(11-5-10-7)12-6-13-9/h5-6,14H,2-4H2,1H3,(H,10,11,12,13)
InChIKeyUMMSDMIIDBQULQ-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.33
Rot. Bonds6

About N-(2-ethoxyethyl)-7H-purine-6-sulfonamide

N-(2-ethoxyethyl)-7H-purine-6-sulfonamide (PubChem CID 5484342) has the molecular formula C9H13N5O3S and a molecular weight of 271.30 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-7H-purine-6-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-7H-purine-6-sulfonamide
PubChem CID5484342
Molecular FormulaC9H13N5O3S
Molecular Weight271.30 g/mol
Exact Mass271.07
IUPAC NameN-(2-ethoxyethyl)-7H-purine-6-sulfonamide
SMILESCCOCCNS(=O)(=O)c1ncnc2nc[nH]c12
InChIInChI=1S/C9H13N5O3S/c1-2-17-4-3-14-18(15,16)9-7-8(11-5-10-7)12-6-13-9/h5-6,14H,2-4H2,1H3,(H,10,11,12,13)
InChIKeyUMMSDMIIDBQULQ-UHFFFAOYSA-N
XLogP-0.33
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-7H-purine-6-sulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-7H-purine-6-sulfonamide (CID 5484342) is N-(2-ethoxyethyl)-7H-purine-6-sulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-7H-purine-6-sulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-7H-purine-6-sulfonamide is CCOCCNS(=O)(=O)c1ncnc2nc[nH]c12.
What is the InChIKey of N-(2-ethoxyethyl)-7H-purine-6-sulfonamide?
The InChIKey is UMMSDMIIDBQULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3S/c1-2-17-4-3-14-18(15,16)9-7-8(11-5-10-7)12-6-13-9/h5-6,14H,2-4H2,1H3,(H,10,11,12,13).
What are the key properties of N-(2-ethoxyethyl)-7H-purine-6-sulfonamide?
N-(2-ethoxyethyl)-7H-purine-6-sulfonamide has a molecular weight of 271.30 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-7H-purine-6-sulfonamide is sourced from PubChem (CID 5484342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).