N-methyl-N-pyrrolidin-3-yloxane-4-sulfonamide

C10H20N2O3S — CID 62049935

IUPACN-methyl-N-pyrrolidin-3-yloxane-4-sulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H20N2O3S/c1-12(9-2-5-11-8-9)16(13,14)10-3-6-15-7-4-10/h9-11H,2-8H2,1H3
InChIKeyXOKTUFCDCGKWQK-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.21
Rot. Bonds3

About N-methyl-N-pyrrolidin-3-yloxane-4-sulfonamide

N-methyl-N-pyrrolidin-3-yloxane-4-sulfonamide (PubChem CID 62049935) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-yloxane-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-yloxane-4-sulfonamide
PubChem CID62049935
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-methyl-N-pyrrolidin-3-yloxane-4-sulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H20N2O3S/c1-12(9-2-5-11-8-9)16(13,14)10-3-6-15-7-4-10/h9-11H,2-8H2,1H3
InChIKeyXOKTUFCDCGKWQK-UHFFFAOYSA-N
XLogP-0.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-yloxane-4-sulfonamide?
The IUPAC name of N-methyl-N-pyrrolidin-3-yloxane-4-sulfonamide (CID 62049935) is N-methyl-N-pyrrolidin-3-yloxane-4-sulfonamide.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-yloxane-4-sulfonamide?
The canonical SMILES for N-methyl-N-pyrrolidin-3-yloxane-4-sulfonamide is CN(C1CCNC1)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-methyl-N-pyrrolidin-3-yloxane-4-sulfonamide?
The InChIKey is XOKTUFCDCGKWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-12(9-2-5-11-8-9)16(13,14)10-3-6-15-7-4-10/h9-11H,2-8H2,1H3.
What are the key properties of N-methyl-N-pyrrolidin-3-yloxane-4-sulfonamide?
N-methyl-N-pyrrolidin-3-yloxane-4-sulfonamide has a molecular weight of 248.35 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-yloxane-4-sulfonamide is sourced from PubChem (CID 62049935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).