N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide

C13H27N3O3S — CID 53498053

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C13H27N3O3S/c1-4-15-7-5-6-13(15)8-14-20(17,18)16-9-11(2)19-12(3)10-16/h11-14H,4-10H2,1-3H3
InChIKeySBNHFUFYZHDHQL-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.41
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 53498053) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID53498053
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C13H27N3O3S/c1-4-15-7-5-6-13(15)8-14-20(17,18)16-9-11(2)19-12(3)10-16/h11-14H,4-10H2,1-3H3
InChIKeySBNHFUFYZHDHQL-UHFFFAOYSA-N
XLogP0.41
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide (CID 53498053) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide is CCN1CCCC1CNS(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is SBNHFUFYZHDHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-4-15-7-5-6-13(15)8-14-20(17,18)16-9-11(2)19-12(3)10-16/h11-14H,4-10H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 305.44 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 53498053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).