3-(morpholin-4-ylsulfonylmethyl)aniline

C11H16N2O3S — CID 43255619

IUPAC3-(morpholin-4-ylsulfonylmethyl)aniline
SMILESNc1cccc(CS(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C11H16N2O3S/c12-11-3-1-2-10(8-11)9-17(14,15)13-4-6-16-7-5-13/h1-3,8H,4-7,9,12H2
InChIKeyAHWNPMPPDIHZJK-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.43
Rot. Bonds3

About 3-(morpholin-4-ylsulfonylmethyl)aniline

3-(morpholin-4-ylsulfonylmethyl)aniline (PubChem CID 43255619) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-(morpholin-4-ylsulfonylmethyl)aniline.

Molecular Properties

Compound Name3-(morpholin-4-ylsulfonylmethyl)aniline
PubChem CID43255619
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-(morpholin-4-ylsulfonylmethyl)aniline
SMILESNc1cccc(CS(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C11H16N2O3S/c12-11-3-1-2-10(8-11)9-17(14,15)13-4-6-16-7-5-13/h1-3,8H,4-7,9,12H2
InChIKeyAHWNPMPPDIHZJK-UHFFFAOYSA-N
XLogP0.43
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methylpiperazin-1-yl)sulfonylmethyl]aniline
CID 43255651
4-(1,4-oxazepan-4-ylsulfonylmethyl)aniline
CID 62987423
3-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonylmethyl]aniline
CID 107452671
1-[(3-aminophenyl)methylsulfonyl]-3-methylpiperidin-4-ol
CID 114677570
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
2-[1-[(3-aminophenyl)methylsulfonyl]piperidin-3-yl]ethanol
CID 107211950
3-[[3-(methoxymethyl)piperidin-1-yl]sulfonylmethyl]aniline
CID 106585690
1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide
CID 110287654
4-[6-methyl-2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122333660
N,N-dimethyl-2-[6-(morpholin-4-ylsulfonylmethyl)naphthalen-2-yl]ethanamine
CID 19012555
1-ethylsulfonyl-4-[(3-methylphenyl)methylsulfonyl]piperazine
CID 110819012
4-[4-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 122340171

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylsulfonylmethyl)aniline?
The IUPAC name of 3-(morpholin-4-ylsulfonylmethyl)aniline (CID 43255619) is 3-(morpholin-4-ylsulfonylmethyl)aniline.
What is the SMILES notation for 3-(morpholin-4-ylsulfonylmethyl)aniline?
The canonical SMILES for 3-(morpholin-4-ylsulfonylmethyl)aniline is Nc1cccc(CS(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-(morpholin-4-ylsulfonylmethyl)aniline?
The InChIKey is AHWNPMPPDIHZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c12-11-3-1-2-10(8-11)9-17(14,15)13-4-6-16-7-5-13/h1-3,8H,4-7,9,12H2.
What are the key properties of 3-(morpholin-4-ylsulfonylmethyl)aniline?
3-(morpholin-4-ylsulfonylmethyl)aniline has a molecular weight of 256.33 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylsulfonylmethyl)aniline is sourced from PubChem (CID 43255619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).