N-(3-methoxypropyl)pyrrolidine-1-sulfonamide

C8H18N2O3S — CID 110705733

IUPACN-(3-methoxypropyl)pyrrolidine-1-sulfonamide
SMILESCOCCCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H18N2O3S/c1-13-8-4-5-9-14(11,12)10-6-2-3-7-10/h9H,2-8H2,1H3
InChIKeyIDKWKYSPWGFQNC-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.05
Rot. Bonds6

About N-(3-methoxypropyl)pyrrolidine-1-sulfonamide

N-(3-methoxypropyl)pyrrolidine-1-sulfonamide (PubChem CID 110705733) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(3-methoxypropyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)pyrrolidine-1-sulfonamide
PubChem CID110705733
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-(3-methoxypropyl)pyrrolidine-1-sulfonamide
SMILESCOCCCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H18N2O3S/c1-13-8-4-5-9-14(11,12)10-6-2-3-7-10/h9H,2-8H2,1H3
InChIKeyIDKWKYSPWGFQNC-UHFFFAOYSA-N
XLogP-0.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methoxypropyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(3-methoxypropyl)pyrrolidine-1-sulfonamide (CID 110705733) is N-(3-methoxypropyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3-methoxypropyl)pyrrolidine-1-sulfonamide is COCCCNS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(3-methoxypropyl)pyrrolidine-1-sulfonamide?
The InChIKey is IDKWKYSPWGFQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-13-8-4-5-9-14(11,12)10-6-2-3-7-10/h9H,2-8H2,1H3.
What are the key properties of N-(3-methoxypropyl)pyrrolidine-1-sulfonamide?
N-(3-methoxypropyl)pyrrolidine-1-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 110705733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).