N-(3-morpholin-4-yl-3-oxopropyl)-N-propylmethanesulfonamide

C11H22N2O4S — CID 113135862

IUPACN-(3-morpholin-4-yl-3-oxopropyl)-N-propylmethanesulfonamide
SMILESCCCN(CCC(=O)N1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-3-5-13(18(2,15)16)6-4-11(14)12-7-9-17-10-8-12/h3-10H2,1-2H3
InChIKeyRWNUIQVHIIAEFT-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.09
Rot. Bonds6

About N-(3-morpholin-4-yl-3-oxopropyl)-N-propylmethanesulfonamide

N-(3-morpholin-4-yl-3-oxopropyl)-N-propylmethanesulfonamide (PubChem CID 113135862) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is N-(3-morpholin-4-yl-3-oxopropyl)-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-morpholin-4-yl-3-oxopropyl)-N-propylmethanesulfonamide
PubChem CID113135862
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC NameN-(3-morpholin-4-yl-3-oxopropyl)-N-propylmethanesulfonamide
SMILESCCCN(CCC(=O)N1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-3-5-13(18(2,15)16)6-4-11(14)12-7-9-17-10-8-12/h3-10H2,1-2H3
InChIKeyRWNUIQVHIIAEFT-UHFFFAOYSA-N
XLogP-0.09
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-yl-3-oxopropyl)-N-propylmethanesulfonamide?
The IUPAC name of N-(3-morpholin-4-yl-3-oxopropyl)-N-propylmethanesulfonamide (CID 113135862) is N-(3-morpholin-4-yl-3-oxopropyl)-N-propylmethanesulfonamide.
What is the SMILES notation for N-(3-morpholin-4-yl-3-oxopropyl)-N-propylmethanesulfonamide?
The canonical SMILES for N-(3-morpholin-4-yl-3-oxopropyl)-N-propylmethanesulfonamide is CCCN(CCC(=O)N1CCOCC1)S(C)(=O)=O.
What is the InChIKey of N-(3-morpholin-4-yl-3-oxopropyl)-N-propylmethanesulfonamide?
The InChIKey is RWNUIQVHIIAEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-5-13(18(2,15)16)6-4-11(14)12-7-9-17-10-8-12/h3-10H2,1-2H3.
What are the key properties of N-(3-morpholin-4-yl-3-oxopropyl)-N-propylmethanesulfonamide?
N-(3-morpholin-4-yl-3-oxopropyl)-N-propylmethanesulfonamide has a molecular weight of 278.37 g/mol, XLogP of -0.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-yl-3-oxopropyl)-N-propylmethanesulfonamide is sourced from PubChem (CID 113135862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).