1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine

C14H22N2O3S — CID 60873972

IUPAC1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine
SMILESCCC(N)c1cccc(S(=O)(=O)N2CCOC(C)C2)c1
InChIInChI=1S/C14H22N2O3S/c1-3-14(15)12-5-4-6-13(9-12)20(17,18)16-7-8-19-11(2)10-16/h4-6,9,11,14H,3,7-8,10,15H2,1-2H3
InChIKeyCSPMTAZSMLRUOH-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.51
Rot. Bonds4

About 1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine

1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine (PubChem CID 60873972) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine
PubChem CID60873972
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine
SMILESCCC(N)c1cccc(S(=O)(=O)N2CCOC(C)C2)c1
InChIInChI=1S/C14H22N2O3S/c1-3-14(15)12-5-4-6-13(9-12)20(17,18)16-7-8-19-11(2)10-16/h4-6,9,11,14H,3,7-8,10,15H2,1-2H3
InChIKeyCSPMTAZSMLRUOH-UHFFFAOYSA-N
XLogP1.51
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine
CID 104959241
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60872652
1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol
CID 62944000
1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine
CID 60871674
1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine
CID 60873787
3-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60844274
1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60873415
3-(2-methylmorpholin-4-yl)sulfonyl-N,N-dipropylbenzamide
CID 110343642
2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43104694
[2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine
CID 55171349
3-(2-ethylmorpholin-4-yl)sulfonylaniline
CID 43562350
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine
CID 52985823

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine?
The IUPAC name of 1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine (CID 60873972) is 1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine.
What is the SMILES notation for 1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine?
The canonical SMILES for 1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine is CCC(N)c1cccc(S(=O)(=O)N2CCOC(C)C2)c1.
What is the InChIKey of 1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine?
The InChIKey is CSPMTAZSMLRUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-14(15)12-5-4-6-13(9-12)20(17,18)16-7-8-19-11(2)10-16/h4-6,9,11,14H,3,7-8,10,15H2,1-2H3.
What are the key properties of 1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine?
1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine has a molecular weight of 298.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine is sourced from PubChem (CID 60873972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).