4-(difluoromethylsulfonyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]aniline

C18H26F2N2O3S — CID 133345973

IUPAC4-(difluoromethylsulfonyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]aniline
SMILESO=S(=O)(c1ccc(NCC2(N3CCCCC3)CCOCC2)cc1)C(F)F
InChIInChI=1S/C18H26F2N2O3S/c19-17(20)26(23,24)16-6-4-15(5-7-16)21-14-18(8-12-25-13-9-18)22-10-2-1-3-11-22/h4-7,17,21H,1-3,8-14H2
InChIKeyFKQQIZSVYOWOOL-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.13
Rot. Bonds6

About 4-(difluoromethylsulfonyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]aniline

4-(difluoromethylsulfonyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]aniline (PubChem CID 133345973) has the molecular formula C18H26F2N2O3S and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]aniline
PubChem CID133345973
Molecular FormulaC18H26F2N2O3S
Molecular Weight388.48 g/mol
Exact Mass388.16
IUPAC Name4-(difluoromethylsulfonyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]aniline
SMILESO=S(=O)(c1ccc(NCC2(N3CCCCC3)CCOCC2)cc1)C(F)F
InChIInChI=1S/C18H26F2N2O3S/c19-17(20)26(23,24)16-6-4-15(5-7-16)21-14-18(8-12-25-13-9-18)22-10-2-1-3-11-22/h4-7,17,21H,1-3,8-14H2
InChIKeyFKQQIZSVYOWOOL-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(difluoromethylsulfonyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 8502045
4-(difluoromethylsulfonyl)-N-[(1-methylcyclopentyl)methyl]aniline
CID 63821978
1-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol
CID 65110379
4-(difluoromethylsulfonyl)-N-(oxan-4-ylmethyl)aniline
CID 62350308
4-(difluoromethylsulfonyl)-N-prop-2-ynylaniline
CID 62140889
[1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol
CID 62519924
N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-4-nitroaniline
CID 10515564
N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide
CID 31972791
4-(difluoromethylsulfonyl)-N-(2,2,2-trifluoroethyl)aniline
CID 43383566
4-(difluoromethylsulfonyl)-N-(3,3-dimethylbutyl)aniline
CID 60966150
4-(difluoromethylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]aniline
CID 43455316
3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71860376

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]aniline?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]aniline (CID 133345973) is 4-(difluoromethylsulfonyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]aniline.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]aniline?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]aniline is O=S(=O)(c1ccc(NCC2(N3CCCCC3)CCOCC2)cc1)C(F)F.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]aniline?
The InChIKey is FKQQIZSVYOWOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O3S/c19-17(20)26(23,24)16-6-4-15(5-7-16)21-14-18(8-12-25-13-9-18)22-10-2-1-3-11-22/h4-7,17,21H,1-3,8-14H2.
What are the key properties of 4-(difluoromethylsulfonyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]aniline?
4-(difluoromethylsulfonyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]aniline has a molecular weight of 388.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]aniline is sourced from PubChem (CID 133345973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).