N-methyl-N-(4-morpholin-4-ylbutyl)pyrrolidine-1-sulfonamide

C13H27N3O3S — CID 131889379

IUPACN-methyl-N-(4-morpholin-4-ylbutyl)pyrrolidine-1-sulfonamide
SMILESCN(CCCCN1CCOCC1)S(=O)(=O)N1CCCC1
InChIInChI=1S/C13H27N3O3S/c1-14(20(17,18)16-8-4-5-9-16)6-2-3-7-15-10-12-19-13-11-15/h2-13H2,1H3
InChIKeyFXRQYOXAMYGNOR-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.37
Rot. Bonds7

About N-methyl-N-(4-morpholin-4-ylbutyl)pyrrolidine-1-sulfonamide

N-methyl-N-(4-morpholin-4-ylbutyl)pyrrolidine-1-sulfonamide (PubChem CID 131889379) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-methyl-N-(4-morpholin-4-ylbutyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(4-morpholin-4-ylbutyl)pyrrolidine-1-sulfonamide
PubChem CID131889379
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-methyl-N-(4-morpholin-4-ylbutyl)pyrrolidine-1-sulfonamide
SMILESCN(CCCCN1CCOCC1)S(=O)(=O)N1CCCC1
InChIInChI=1S/C13H27N3O3S/c1-14(20(17,18)16-8-4-5-9-16)6-2-3-7-15-10-12-19-13-11-15/h2-13H2,1H3
InChIKeyFXRQYOXAMYGNOR-UHFFFAOYSA-N
XLogP0.37
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-N-(4-morpholin-4-ylbutyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-methyl-N-(4-morpholin-4-ylbutyl)pyrrolidine-1-sulfonamide (CID 131889379) is N-methyl-N-(4-morpholin-4-ylbutyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(4-morpholin-4-ylbutyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-methyl-N-(4-morpholin-4-ylbutyl)pyrrolidine-1-sulfonamide is CN(CCCCN1CCOCC1)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-methyl-N-(4-morpholin-4-ylbutyl)pyrrolidine-1-sulfonamide?
The InChIKey is FXRQYOXAMYGNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-14(20(17,18)16-8-4-5-9-16)6-2-3-7-15-10-12-19-13-11-15/h2-13H2,1H3.
What are the key properties of N-methyl-N-(4-morpholin-4-ylbutyl)pyrrolidine-1-sulfonamide?
N-methyl-N-(4-morpholin-4-ylbutyl)pyrrolidine-1-sulfonamide has a molecular weight of 305.44 g/mol, XLogP of 0.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-morpholin-4-ylbutyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 131889379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).