[4-(3-fluoropropylsulfonyl)phenyl]methanamine

C10H14FNO2S — CID 84694587

IUPAC[4-(3-fluoropropylsulfonyl)phenyl]methanamine
SMILESNCc1ccc(S(=O)(=O)CCCF)cc1
InChIInChI=1S/C10H14FNO2S/c11-6-1-7-15(13,14)10-4-2-9(8-12)3-5-10/h2-5H,1,6-8,12H2
InChIKeyPVJDIQBYYVBHEO-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.28
Rot. Bonds5

About [4-(3-fluoropropylsulfonyl)phenyl]methanamine

[4-(3-fluoropropylsulfonyl)phenyl]methanamine (PubChem CID 84694587) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is [4-(3-fluoropropylsulfonyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-fluoropropylsulfonyl)phenyl]methanamine
PubChem CID84694587
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name[4-(3-fluoropropylsulfonyl)phenyl]methanamine
SMILESNCc1ccc(S(=O)(=O)CCCF)cc1
InChIInChI=1S/C10H14FNO2S/c11-6-1-7-15(13,14)10-4-2-9(8-12)3-5-10/h2-5H,1,6-8,12H2
InChIKeyPVJDIQBYYVBHEO-UHFFFAOYSA-N
XLogP1.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-fluoropropylsulfonyl)phenyl]methanamine
CID 84694590
3-[4-(aminomethyl)phenyl]sulfonyl-N-[3-[4-(aminomethyl)phenyl]sulfonylpropyl]-N-methylpropan-1-amine
CID 70313018
(4-propylsulfonylphenyl)methanamine
CID 57438061
[4-(2-chloroethylsulfonyl)phenyl]methanamine
CID 19105459
[4-[2-(2,2-difluoroethoxy)ethylsulfonyl]phenyl]methanamine
CID 82004941
[4-(2-pentylsulfanylethylsulfonyl)phenyl]methanamine
CID 107752221
[3-(2-fluoroethylsulfonyl)phenyl]methanamine
CID 84682681
4-(4-fluorophenyl)sulfonylbutan-1-amine
CID 28753396
1-bromo-3-(3-fluoropropylsulfonyl)benzene
CID 84715101
4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline
CID 62971157
[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine
CID 64697987
5-(4-chlorophenyl)sulfonylpentan-1-amine
CID 22617016

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoropropylsulfonyl)phenyl]methanamine?
The IUPAC name of [4-(3-fluoropropylsulfonyl)phenyl]methanamine (CID 84694587) is [4-(3-fluoropropylsulfonyl)phenyl]methanamine.
What is the SMILES notation for [4-(3-fluoropropylsulfonyl)phenyl]methanamine?
The canonical SMILES for [4-(3-fluoropropylsulfonyl)phenyl]methanamine is NCc1ccc(S(=O)(=O)CCCF)cc1.
What is the InChIKey of [4-(3-fluoropropylsulfonyl)phenyl]methanamine?
The InChIKey is PVJDIQBYYVBHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c11-6-1-7-15(13,14)10-4-2-9(8-12)3-5-10/h2-5H,1,6-8,12H2.
What are the key properties of [4-(3-fluoropropylsulfonyl)phenyl]methanamine?
[4-(3-fluoropropylsulfonyl)phenyl]methanamine has a molecular weight of 231.29 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoropropylsulfonyl)phenyl]methanamine is sourced from PubChem (CID 84694587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).