N-[4-(difluoromethylsulfonyl)phenyl]-2-pentan-3-yloxan-4-amine

C17H25F2NO3S — CID 133441630

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-2-pentan-3-yloxan-4-amine
SMILESCCC(CC)C1CC(Nc2ccc(S(=O)(=O)C(F)F)cc2)CCO1
InChIInChI=1S/C17H25F2NO3S/c1-3-12(4-2)16-11-14(9-10-23-16)20-13-5-7-15(8-6-13)24(21,22)17(18)19/h5-8,12,14,16-17,20H,3-4,9-11H2,1-2H3
InChIKeyAUMTXEXZBANRQZ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.08
Rot. Bonds7

About N-[4-(difluoromethylsulfonyl)phenyl]-2-pentan-3-yloxan-4-amine

N-[4-(difluoromethylsulfonyl)phenyl]-2-pentan-3-yloxan-4-amine (PubChem CID 133441630) has the molecular formula C17H25F2NO3S and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-2-pentan-3-yloxan-4-amine.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-2-pentan-3-yloxan-4-amine
PubChem CID133441630
Molecular FormulaC17H25F2NO3S
Molecular Weight361.45 g/mol
Exact Mass361.15
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-2-pentan-3-yloxan-4-amine
SMILESCCC(CC)C1CC(Nc2ccc(S(=O)(=O)C(F)F)cc2)CCO1
InChIInChI=1S/C17H25F2NO3S/c1-3-12(4-2)16-11-14(9-10-23-16)20-13-5-7-15(8-6-13)24(21,22)17(18)19/h5-8,12,14,16-17,20H,3-4,9-11H2,1-2H3
InChIKeyAUMTXEXZBANRQZ-UHFFFAOYSA-N
XLogP4.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine
CID 133461855
4-(difluoromethylsulfonyl)-N-(4-methylcyclohexyl)aniline
CID 43455320
N-(4-chlorocyclohexyl)-4-(difluoromethylsulfonyl)aniline
CID 65027258
N-[4-(difluoromethylsulfonyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104577336
2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide
CID 133440405
5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133461839
N-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133440386
1-cyclopropyl-N-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-amine
CID 47046027
6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
CID 133440404
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133440380
4-methoxy-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133440360
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
CID 133440407

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-pentan-3-yloxan-4-amine?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-pentan-3-yloxan-4-amine (CID 133441630) is N-[4-(difluoromethylsulfonyl)phenyl]-2-pentan-3-yloxan-4-amine.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-2-pentan-3-yloxan-4-amine?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-2-pentan-3-yloxan-4-amine is CCC(CC)C1CC(Nc2ccc(S(=O)(=O)C(F)F)cc2)CCO1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-2-pentan-3-yloxan-4-amine?
The InChIKey is AUMTXEXZBANRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO3S/c1-3-12(4-2)16-11-14(9-10-23-16)20-13-5-7-15(8-6-13)24(21,22)17(18)19/h5-8,12,14,16-17,20H,3-4,9-11H2,1-2H3.
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-2-pentan-3-yloxan-4-amine?
N-[4-(difluoromethylsulfonyl)phenyl]-2-pentan-3-yloxan-4-amine has a molecular weight of 361.45 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-2-pentan-3-yloxan-4-amine is sourced from PubChem (CID 133441630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).