N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]methanesulfonamide

C10H23N3O5S2 — CID 113066365

IUPACN-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN(CCN1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C10H23N3O5S2/c1-19(14,15)11-3-4-13(20(2,16)17)6-5-12-7-9-18-10-8-12/h11H,3-10H2,1-2H3
InChIKeyQDHMXTOFIJVJAE-UHFFFAOYSA-N
MW329.44 g/mol
LogP-1.87
Rot. Bonds8

About N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]methanesulfonamide

N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]methanesulfonamide (PubChem CID 113066365) has the molecular formula C10H23N3O5S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]methanesulfonamide
PubChem CID113066365
Molecular FormulaC10H23N3O5S2
Molecular Weight329.44 g/mol
Exact Mass329.11
IUPAC NameN-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN(CCN1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C10H23N3O5S2/c1-19(14,15)11-3-4-13(20(2,16)17)6-5-12-7-9-18-10-8-12/h11H,3-10H2,1-2H3
InChIKeyQDHMXTOFIJVJAE-UHFFFAOYSA-N
XLogP-1.87
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 5-1.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide
CID 141436059
N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]pentanamide
CID 113066319
N-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138237
N-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138235
N-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113150008
N-cyclopropyl-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149952
N-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138283
2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 113153386
N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138263
2-methylpropane;N-(morpholin-4-ylmethyl)methanesulfonamide
CID 158869058
N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]methanesulfonamide
CID 113066009
1-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide
CID 83084169

Frequently Asked Questions

What is the IUPAC name of N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]methanesulfonamide (CID 113066365) is N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCN(CCN1CCOCC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]methanesulfonamide?
The InChIKey is QDHMXTOFIJVJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O5S2/c1-19(14,15)11-3-4-13(20(2,16)17)6-5-12-7-9-18-10-8-12/h11H,3-10H2,1-2H3.
What are the key properties of N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]methanesulfonamide?
N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]methanesulfonamide has a molecular weight of 329.44 g/mol, XLogP of -1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 113066365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).