N-[2-[methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide

C14H25N3O3S2 — CID 71878230

IUPACN-[2-[methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
SMILESCN(CCNS(C)(=O)=O)CC(c1cccs1)N1CCOCC1
InChIInChI=1S/C14H25N3O3S2/c1-16(6-5-15-22(2,18)19)12-13(14-4-3-11-21-14)17-7-9-20-10-8-17/h3-4,11,13,15H,5-10,12H2,1-2H3
InChIKeyDQKPESVJHNRCIZ-UHFFFAOYSA-N
MW347.51 g/mol
LogP0.60
Rot. Bonds8

About N-[2-[methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide

N-[2-[methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide (PubChem CID 71878230) has the molecular formula C14H25N3O3S2 and a molecular weight of 347.51 g/mol. Its IUPAC name is N-[2-[methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
PubChem CID71878230
Molecular FormulaC14H25N3O3S2
Molecular Weight347.51 g/mol
Exact Mass347.13
IUPAC NameN-[2-[methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
SMILESCN(CCNS(C)(=O)=O)CC(c1cccs1)N1CCOCC1
InChIInChI=1S/C14H25N3O3S2/c1-16(6-5-15-22(2,18)19)12-13(14-4-3-11-21-14)17-7-9-20-10-8-17/h3-4,11,13,15H,5-10,12H2,1-2H3
InChIKeyDQKPESVJHNRCIZ-UHFFFAOYSA-N
XLogP0.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide (CID 71878230) is N-[2-[methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide is CN(CCNS(C)(=O)=O)CC(c1cccs1)N1CCOCC1.
What is the InChIKey of N-[2-[methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide?
The InChIKey is DQKPESVJHNRCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S2/c1-16(6-5-15-22(2,18)19)12-13(14-4-3-11-21-14)17-7-9-20-10-8-17/h3-4,11,13,15H,5-10,12H2,1-2H3.
What are the key properties of N-[2-[methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide?
N-[2-[methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide has a molecular weight of 347.51 g/mol, XLogP of 0.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 71878230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).