N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-pyrrolidin-2-ylmethanesulfonamide

C11H25N3O3S — CID 62848516

IUPACN-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)CC1CCCN1
InChIInChI=1S/C11H25N3O3S/c1-14(8-9-17-2)7-6-13-18(15,16)10-11-4-3-5-12-11/h11-13H,3-10H2,1-2H3
InChIKeyNYUNCBXSQVYABU-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.76
Rot. Bonds9

About N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-pyrrolidin-2-ylmethanesulfonamide

N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 62848516) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID62848516
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC NameN-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)CC1CCCN1
InChIInChI=1S/C11H25N3O3S/c1-14(8-9-17-2)7-6-13-18(15,16)10-11-4-3-5-12-11/h11-13H,3-10H2,1-2H3
InChIKeyNYUNCBXSQVYABU-UHFFFAOYSA-N
XLogP-0.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-pyrrolidin-2-ylmethanesulfonamide (CID 62848516) is N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-pyrrolidin-2-ylmethanesulfonamide is COCCN(C)CCNS(=O)(=O)CC1CCCN1.
What is the InChIKey of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is NYUNCBXSQVYABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-14(8-9-17-2)7-6-13-18(15,16)10-11-4-3-5-12-11/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-pyrrolidin-2-ylmethanesulfonamide?
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 279.41 g/mol, XLogP of -0.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 62848516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).