N-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine

C13H20N2O3S — CID 60822203

IUPACN-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine
SMILESCNCc1ccc(S(=O)(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C13H20N2O3S/c1-11-10-15(7-8-18-11)19(16,17)13-5-3-12(4-6-13)9-14-2/h3-6,11,14H,7-10H2,1-2H3
InChIKeyGFQUNZMEJXTBGD-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.82
Rot. Bonds4

About N-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine

N-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine (PubChem CID 60822203) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine
PubChem CID60822203
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine
SMILESCNCc1ccc(S(=O)(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C13H20N2O3S/c1-11-10-15(7-8-18-11)19(16,17)13-5-3-12(4-6-13)9-14-2/h3-6,11,14H,7-10H2,1-2H3
InChIKeyGFQUNZMEJXTBGD-UHFFFAOYSA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine (CID 60822203) is N-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine is CNCc1ccc(S(=O)(=O)N2CCOC(C)C2)cc1.
What is the InChIKey of N-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine?
The InChIKey is GFQUNZMEJXTBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-11-10-15(7-8-18-11)19(16,17)13-5-3-12(4-6-13)9-14-2/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of N-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine?
N-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine has a molecular weight of 284.38 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine is sourced from PubChem (CID 60822203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).