1-(oxan-2-yl)-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide

C13H26N2O3S — CID 119976345

IUPAC1-(oxan-2-yl)-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)CC1CCCCO1
InChIInChI=1S/C13H26N2O3S/c1-2-8-15(12-6-7-14-10-12)19(16,17)11-13-5-3-4-9-18-13/h12-14H,2-11H2,1H3
InChIKeyARMHLCHREDXSAH-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.96
Rot. Bonds6

About 1-(oxan-2-yl)-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide

1-(oxan-2-yl)-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide (PubChem CID 119976345) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(oxan-2-yl)-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(oxan-2-yl)-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide
PubChem CID119976345
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name1-(oxan-2-yl)-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)CC1CCCCO1
InChIInChI=1S/C13H26N2O3S/c1-2-8-15(12-6-7-14-10-12)19(16,17)11-13-5-3-4-9-18-13/h12-14H,2-11H2,1H3
InChIKeyARMHLCHREDXSAH-UHFFFAOYSA-N
XLogP0.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(oxolan-2-yl)-N-piperidin-3-ylmethanesulfonamide
CID 63246657
N-propyl-N-pyrrolidin-3-ylethanesulfonamide
CID 60805146
2-[oxolan-2-ylmethylsulfonyl(pyrrolidin-3-yl)amino]acetamide
CID 63246610
N-propyl-N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 119976707
N-piperidin-3-yl-N-propylethanesulfonamide
CID 60806396
N-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide
CID 79673607
N-[cyclohexyl(methyl)sulfamoyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119976327
N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide
CID 63246646
N-piperidin-3-yl-N-propylprop-2-ene-1-sulfonamide
CID 79673907
1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide
CID 120721075
N-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine
CID 60806655
2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300552

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide?
The IUPAC name of 1-(oxan-2-yl)-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide (CID 119976345) is 1-(oxan-2-yl)-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide.
What is the SMILES notation for 1-(oxan-2-yl)-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide?
The canonical SMILES for 1-(oxan-2-yl)-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide is CCCN(C1CCNC1)S(=O)(=O)CC1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide?
The InChIKey is ARMHLCHREDXSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-2-8-15(12-6-7-14-10-12)19(16,17)11-13-5-3-4-9-18-13/h12-14H,2-11H2,1H3.
What are the key properties of 1-(oxan-2-yl)-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide?
1-(oxan-2-yl)-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide has a molecular weight of 290.43 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide is sourced from PubChem (CID 119976345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).