N-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]methanesulfonamide

C14H24N2O4S — CID 15072510

IUPACN-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]methanesulfonamide
SMILESCCN(CC)CC(O)COc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C14H24N2O4S/c1-4-16(5-2)10-13(17)11-20-14-8-6-12(7-9-14)15-21(3,18)19/h6-9,13,15,17H,4-5,10-11H2,1-3H3
InChIKeyRMXAMIYVQATSMH-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.14
Rot. Bonds9

About N-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]methanesulfonamide

N-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]methanesulfonamide (PubChem CID 15072510) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is N-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]methanesulfonamide
PubChem CID15072510
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC NameN-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]methanesulfonamide
SMILESCCN(CC)CC(O)COc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C14H24N2O4S/c1-4-16(5-2)10-13(17)11-20-14-8-6-12(7-9-14)15-21(3,18)19/h6-9,13,15,17H,4-5,10-11H2,1-3H3
InChIKeyRMXAMIYVQATSMH-UHFFFAOYSA-N
XLogP1.14
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]methanesulfonamide (CID 15072510) is N-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]methanesulfonamide is CCN(CC)CC(O)COc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]methanesulfonamide?
The InChIKey is RMXAMIYVQATSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-4-16(5-2)10-13(17)11-20-14-8-6-12(7-9-14)15-21(3,18)19/h6-9,13,15,17H,4-5,10-11H2,1-3H3.
What are the key properties of N-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]methanesulfonamide?
N-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]methanesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 15072510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).