1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine

C15H24N2O3S — CID 104959241

IUPAC1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine
SMILESCCC(N)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C15H24N2O3S/c1-4-15(16)13-6-5-7-14(8-13)21(18,19)17-9-11(2)20-12(3)10-17/h5-8,11-12,15H,4,9-10,16H2,1-3H3/t11-,12+,15?
InChIKeySZCOLXOFSRLXEX-ODOQXGPZSA-N
MW312.44 g/mol
LogP1.89
Rot. Bonds4

About 1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine

1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine (PubChem CID 104959241) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine.

Molecular Properties

Compound Name1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine
PubChem CID104959241
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine
SMILESCCC(N)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C15H24N2O3S/c1-4-15(16)13-6-5-7-14(8-13)21(18,19)17-9-11(2)20-12(3)10-17/h5-8,11-12,15H,4,9-10,16H2,1-3H3/t11-,12+,15?
InChIKeySZCOLXOFSRLXEX-ODOQXGPZSA-N
XLogP1.89
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60872652
1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine
CID 60873972
1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol
CID 104959833
1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine
CID 60871674
1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine
CID 60873787
1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol
CID 62944000
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098
1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60873415
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
propyl 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 46544170
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzonitrile
CID 7510224

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine?
The IUPAC name of 1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine (CID 104959241) is 1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine.
What is the SMILES notation for 1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine?
The canonical SMILES for 1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine is CCC(N)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of 1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine?
The InChIKey is SZCOLXOFSRLXEX-ODOQXGPZSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-15(16)13-6-5-7-14(8-13)21(18,19)17-9-11(2)20-12(3)10-17/h5-8,11-12,15H,4,9-10,16H2,1-3H3/t11-,12+,15?.
What are the key properties of 1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine?
1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine has a molecular weight of 312.44 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine is sourced from PubChem (CID 104959241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).