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

C12H17ClN2O3S — CID 83170294

IUPACN-[(2-chloro-6-methylsulfonylphenyl)methyl]morpholin-4-amine
SMILESCS(=O)(=O)c1cccc(Cl)c1CNN1CCOCC1
InChIInChI=1S/C12H17ClN2O3S/c1-19(16,17)12-4-2-3-11(13)10(12)9-14-15-5-7-18-8-6-15/h2-4,14H,5-9H2,1H3
InChIKeyWCRFYGYSXHIOTD-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.08
Rot. Bonds4

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

N-[(2-chloro-6-methylsulfonylphenyl)methyl]morpholin-4-amine (PubChem CID 83170294) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is N-[(2-chloro-6-methylsulfonylphenyl)methyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methylsulfonylphenyl)methyl]morpholin-4-amine
PubChem CID83170294
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC NameN-[(2-chloro-6-methylsulfonylphenyl)methyl]morpholin-4-amine
SMILESCS(=O)(=O)c1cccc(Cl)c1CNN1CCOCC1
InChIInChI=1S/C12H17ClN2O3S/c1-19(16,17)12-4-2-3-11(13)10(12)9-14-15-5-7-18-8-6-15/h2-4,14H,5-9H2,1H3
InChIKeyWCRFYGYSXHIOTD-UHFFFAOYSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine
CID 83169171
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-piperidin-1-ylethanamine
CID 83168945
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine
CID 83169876
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-methylpentan-3-amine
CID 83169880
(2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol
CID 114983164
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-3-methylpentan-2-amine
CID 83170991
(1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-phenylethanamine
CID 83168346
(1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine
CID 83170840
N-(2-methylsulfonylphenyl)morpholin-4-amine
CID 115279132
4-bromo-N-[(2-chloro-6-methylsulfonylphenyl)methyl]aniline
CID 83169873
N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
CID 83170984
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 83168460

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylsulfonylphenyl)methyl]morpholin-4-amine?
The IUPAC name of N-[(2-chloro-6-methylsulfonylphenyl)methyl]morpholin-4-amine (CID 83170294) is N-[(2-chloro-6-methylsulfonylphenyl)methyl]morpholin-4-amine.
What is the SMILES notation for N-[(2-chloro-6-methylsulfonylphenyl)methyl]morpholin-4-amine?
The canonical SMILES for N-[(2-chloro-6-methylsulfonylphenyl)methyl]morpholin-4-amine is CS(=O)(=O)c1cccc(Cl)c1CNN1CCOCC1.
What is the InChIKey of N-[(2-chloro-6-methylsulfonylphenyl)methyl]morpholin-4-amine?
The InChIKey is WCRFYGYSXHIOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-19(16,17)12-4-2-3-11(13)10(12)9-14-15-5-7-18-8-6-15/h2-4,14H,5-9H2,1H3.
What are the key properties of N-[(2-chloro-6-methylsulfonylphenyl)methyl]morpholin-4-amine?
N-[(2-chloro-6-methylsulfonylphenyl)methyl]morpholin-4-amine has a molecular weight of 304.80 g/mol, XLogP of 1.08, 4 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]morpholin-4-amine is sourced from PubChem (CID 83170294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).