4-(difluoromethylsulfonyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]aniline

C16H24F2N2O3S — CID 55831410

IUPAC4-(difluoromethylsulfonyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]aniline
SMILESCC1CN(CCCNc2ccc(S(=O)(=O)C(F)F)cc2)CC(C)O1
InChIInChI=1S/C16H24F2N2O3S/c1-12-10-20(11-13(2)23-12)9-3-8-19-14-4-6-15(7-5-14)24(21,22)16(17)18/h4-7,12-13,16,19H,3,8-11H2,1-2H3
InChIKeyYSRSFTSTQXHDLB-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.59
Rot. Bonds7

About 4-(difluoromethylsulfonyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]aniline

4-(difluoromethylsulfonyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]aniline (PubChem CID 55831410) has the molecular formula C16H24F2N2O3S and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]aniline
PubChem CID55831410
Molecular FormulaC16H24F2N2O3S
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC Name4-(difluoromethylsulfonyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]aniline
SMILESCC1CN(CCCNc2ccc(S(=O)(=O)C(F)F)cc2)CC(C)O1
InChIInChI=1S/C16H24F2N2O3S/c1-12-10-20(11-13(2)23-12)9-3-8-19-14-4-6-15(7-5-14)24(21,22)16(17)18/h4-7,12-13,16,19H,3,8-11H2,1-2H3
InChIKeyYSRSFTSTQXHDLB-UHFFFAOYSA-N
XLogP2.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]aniline?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]aniline (CID 55831410) is 4-(difluoromethylsulfonyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]aniline.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]aniline?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]aniline is CC1CN(CCCNc2ccc(S(=O)(=O)C(F)F)cc2)CC(C)O1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]aniline?
The InChIKey is YSRSFTSTQXHDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O3S/c1-12-10-20(11-13(2)23-12)9-3-8-19-14-4-6-15(7-5-14)24(21,22)16(17)18/h4-7,12-13,16,19H,3,8-11H2,1-2H3.
What are the key properties of 4-(difluoromethylsulfonyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]aniline?
4-(difluoromethylsulfonyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]aniline has a molecular weight of 362.44 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]aniline is sourced from PubChem (CID 55831410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).