N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine

C14H21ClN2O3S — CID 83169171

IUPACN-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine
SMILESCS(=O)(=O)c1cccc(Cl)c1CNCCN1CCOCC1
InChIInChI=1S/C14H21ClN2O3S/c1-21(18,19)14-4-2-3-13(15)12(14)11-16-5-6-17-7-9-20-10-8-17/h2-4,16H,5-11H2,1H3
InChIKeyGTZOZZWPHIRXHO-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.17
Rot. Bonds6

About N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine

N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 83169171) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine
PubChem CID83169171
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine
SMILESCS(=O)(=O)c1cccc(Cl)c1CNCCN1CCOCC1
InChIInChI=1S/C14H21ClN2O3S/c1-21(18,19)14-4-2-3-13(15)12(14)11-16-5-6-17-7-9-20-10-8-17/h2-4,16H,5-11H2,1H3
InChIKeyGTZOZZWPHIRXHO-UHFFFAOYSA-N
XLogP1.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-piperidin-1-ylethanamine
CID 83168945
N-[(2-chloro-6-methylsulfonylphenyl)methyl]morpholin-4-amine
CID 83170294
N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 4720319
N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
CID 83170984
2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline
CID 43388034
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide
CID 83170434
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 104589883
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine
CID 83169561
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine
CID 124895932
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 104589757
3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-cyclopropylpropanamide
CID 83167961
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine
CID 83168922

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine (CID 83169171) is N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine is CS(=O)(=O)c1cccc(Cl)c1CNCCN1CCOCC1.
What is the InChIKey of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is GTZOZZWPHIRXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-21(18,19)14-4-2-3-13(15)12(14)11-16-5-6-17-7-9-20-10-8-17/h2-4,16H,5-11H2,1H3.
What are the key properties of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine?
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 332.85 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 83169171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).