3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide

C14H23N3O3S — CID 79083047

IUPAC3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)NCC2CN(C)CCO2)c1
InChIInChI=1S/C14H23N3O3S/c1-11(15)12-4-3-5-14(8-12)21(18,19)16-9-13-10-17(2)6-7-20-13/h3-5,8,11,13,16H,6-7,9-10,15H2,1-2H3
InChIKeyDCODAKSFJUSGPX-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.32
Rot. Bonds5

About 3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide

3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide (PubChem CID 79083047) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
PubChem CID79083047
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)NCC2CN(C)CCO2)c1
InChIInChI=1S/C14H23N3O3S/c1-11(15)12-4-3-5-14(8-12)21(18,19)16-9-13-10-17(2)6-7-20-13/h3-5,8,11,13,16H,6-7,9-10,15H2,1-2H3
InChIKeyDCODAKSFJUSGPX-UHFFFAOYSA-N
XLogP0.32
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methylmorpholin-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 79083016
1-[3-(1-aminoethyl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 79071437
3-(1-aminoethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61464998
3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79360331
3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide
CID 110710013
2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 81245074
(2R)-2-(3-chlorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]propan-1-amine
CID 99824434
6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide
CID 79071689
2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79078860
1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide
CID 79079333
2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083271
4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 106997035

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide (CID 79083047) is 3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide is CC(N)c1cccc(S(=O)(=O)NCC2CN(C)CCO2)c1.
What is the InChIKey of 3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The InChIKey is DCODAKSFJUSGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-11(15)12-4-3-5-14(8-12)21(18,19)16-9-13-10-17(2)6-7-20-13/h3-5,8,11,13,16H,6-7,9-10,15H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 79083047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).