N-(2-methylpropoxy)pyrrolidine-1-sulfonamide

C8H18N2O3S — CID 82715800

IUPACN-(2-methylpropoxy)pyrrolidine-1-sulfonamide
SMILESCC(C)CONS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H18N2O3S/c1-8(2)7-13-9-14(11,12)10-5-3-4-6-10/h8-9H,3-7H2,1-2H3
InChIKeyOASHROOEMGQQNQ-UHFFFAOYSA-N
MW222.31 g/mol
LogP0.50
Rot. Bonds5

About N-(2-methylpropoxy)pyrrolidine-1-sulfonamide

N-(2-methylpropoxy)pyrrolidine-1-sulfonamide (PubChem CID 82715800) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(2-methylpropoxy)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)pyrrolidine-1-sulfonamide
PubChem CID82715800
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-(2-methylpropoxy)pyrrolidine-1-sulfonamide
SMILESCC(C)CONS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H18N2O3S/c1-8(2)7-13-9-14(11,12)10-5-3-4-6-10/h8-9H,3-7H2,1-2H3
InChIKeyOASHROOEMGQQNQ-UHFFFAOYSA-N
XLogP0.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-methylpropoxy)pyrrolidine-1-sulfonamide (CID 82715800) is N-(2-methylpropoxy)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-methylpropoxy)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-methylpropoxy)pyrrolidine-1-sulfonamide is CC(C)CONS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2-methylpropoxy)pyrrolidine-1-sulfonamide?
The InChIKey is OASHROOEMGQQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-8(2)7-13-9-14(11,12)10-5-3-4-6-10/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(2-methylpropoxy)pyrrolidine-1-sulfonamide?
N-(2-methylpropoxy)pyrrolidine-1-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 82715800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).