N-methyl-N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide

C11H22N2O3S — CID 115272249

IUPACN-methyl-N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide
SMILESCN(CC1CCNC1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H22N2O3S/c1-13(9-10-2-5-12-8-10)17(14,15)11-3-6-16-7-4-11/h10-12H,2-9H2,1H3
InChIKeyYBNTYSQJQSHRMT-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.04
Rot. Bonds4

About N-methyl-N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide

N-methyl-N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide (PubChem CID 115272249) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-methyl-N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide
PubChem CID115272249
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-methyl-N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide
SMILESCN(CC1CCNC1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H22N2O3S/c1-13(9-10-2-5-12-8-10)17(14,15)11-3-6-16-7-4-11/h10-12H,2-9H2,1H3
InChIKeyYBNTYSQJQSHRMT-UHFFFAOYSA-N
XLogP0.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.04
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-ylmethyl)oxane-4-sulfonamide?
The IUPAC name of N-methyl-N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide (CID 115272249) is N-methyl-N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide.
What is the SMILES notation for N-methyl-N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide?
The canonical SMILES for N-methyl-N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide is CN(CC1CCNC1)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-methyl-N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide?
The InChIKey is YBNTYSQJQSHRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-13(9-10-2-5-12-8-10)17(14,15)11-3-6-16-7-4-11/h10-12H,2-9H2,1H3.
What are the key properties of N-methyl-N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide?
N-methyl-N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.04, 4 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-ylmethyl)oxane-4-sulfonamide is sourced from PubChem (CID 115272249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).