1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]cyclohexan-1-amine

C15H20FNO3S — CID 117498745

IUPAC1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]cyclohexan-1-amine
SMILESNC1(c2ccc(S(=O)(=O)C3COC3)c(F)c2)CCCCC1
InChIInChI=1S/C15H20FNO3S/c16-13-8-11(15(17)6-2-1-3-7-15)4-5-14(13)21(18,19)12-9-20-10-12/h4-5,8,12H,1-3,6-7,9-10,17H2
InChIKeyULKSSWUICIGSJW-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.12
Rot. Bonds3

About 1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]cyclohexan-1-amine

1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]cyclohexan-1-amine (PubChem CID 117498745) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is 1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]cyclohexan-1-amine
PubChem CID117498745
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC Name1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]cyclohexan-1-amine
SMILESNC1(c2ccc(S(=O)(=O)C3COC3)c(F)c2)CCCCC1
InChIInChI=1S/C15H20FNO3S/c16-13-8-11(15(17)6-2-1-3-7-15)4-5-14(13)21(18,19)12-9-20-10-12/h4-5,8,12H,1-3,6-7,9-10,17H2
InChIKeyULKSSWUICIGSJW-UHFFFAOYSA-N
XLogP2.12
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methylsulfonylphenyl)cyclopropan-1-amine
CID 84792733
1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclopentane-1-carboxylic acid
CID 117497632
[1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclobutyl]methanamine
CID 117455576
4-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]-1,2-oxazol-5-amine
CID 117480730
1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-amine
CID 117435672
3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol
CID 117438220
1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 23289263
1-(4-methylsulfanyl-3-methylsulfonylphenyl)cyclohexan-1-amine
CID 117482499
4-[[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]methyl]piperidine
CID 117498748
1-[4-(oxetan-3-yl)phenyl]cyclopentan-1-amine
CID 117309769
1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine
CID 117278095
1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine
CID 82607558

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]cyclohexan-1-amine (CID 117498745) is 1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]cyclohexan-1-amine is NC1(c2ccc(S(=O)(=O)C3COC3)c(F)c2)CCCCC1.
What is the InChIKey of 1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]cyclohexan-1-amine?
The InChIKey is ULKSSWUICIGSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3S/c16-13-8-11(15(17)6-2-1-3-7-15)4-5-14(13)21(18,19)12-9-20-10-12/h4-5,8,12H,1-3,6-7,9-10,17H2.
What are the key properties of 1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]cyclohexan-1-amine?
1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]cyclohexan-1-amine has a molecular weight of 313.39 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 117498745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).