[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine

C12H18N2O3S — CID 42252952

IUPAC[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
SMILESCc1cccc(S(=O)(=O)N2CCO[C@H](CN)C2)c1
InChIInChI=1S/C12H18N2O3S/c1-10-3-2-4-12(7-10)18(15,16)14-5-6-17-11(8-13)9-14/h2-4,7,11H,5-6,8-9,13H2,1H3/t11-/m1/s1
InChIKeyNZXGIKQRKNIAMZ-LLVKDONJSA-N
MW270.35 g/mol
LogP0.34
Rot. Bonds3

About [(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine

[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine (PubChem CID 42252952) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is [(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
PubChem CID42252952
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
SMILESCc1cccc(S(=O)(=O)N2CCO[C@H](CN)C2)c1
InChIInChI=1S/C12H18N2O3S/c1-10-3-2-4-12(7-10)18(15,16)14-5-6-17-11(8-13)9-14/h2-4,7,11H,5-6,8-9,13H2,1H3/t11-/m1/s1
InChIKeyNZXGIKQRKNIAMZ-LLVKDONJSA-N
XLogP0.34
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate
CID 79764305
[4-(4-methyl-3-nitrophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398346
3-(2-ethylmorpholin-4-yl)sulfonylaniline
CID 43562350
[4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398478
[(2R)-4-(4-chlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252815
[4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398495
[4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 61339337
[4-(2,3-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398436
[4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride
CID 120712882
3-(2-ethylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 43562909
2-(2-fluorophenyl)-4-(3-methylphenyl)sulfonylmorpholine
CID 110326724
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine?
The IUPAC name of [(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine (CID 42252952) is [(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine.
What is the SMILES notation for [(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine?
The canonical SMILES for [(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine is Cc1cccc(S(=O)(=O)N2CCO[C@H](CN)C2)c1.
What is the InChIKey of [(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine?
The InChIKey is NZXGIKQRKNIAMZ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-10-3-2-4-12(7-10)18(15,16)14-5-6-17-11(8-13)9-14/h2-4,7,11H,5-6,8-9,13H2,1H3/t11-/m1/s1.
What are the key properties of [(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine?
[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine has a molecular weight of 270.35 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine is sourced from PubChem (CID 42252952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).