[4-(4,4-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine

C14H21FN2O2S — CID 79189556

IUPAC[4-(4,4-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine
SMILESCC1(C)CCN(S(=O)(=O)c2ccc(CN)cc2F)CC1
InChIInChI=1S/C14H21FN2O2S/c1-14(2)5-7-17(8-6-14)20(18,19)13-4-3-11(10-16)9-12(13)15/h3-4,9H,5-8,10,16H2,1-2H3
InChIKeyNOFXRFYZSFTPOK-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.10
Rot. Bonds3

About [4-(4,4-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine

[4-(4,4-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine (PubChem CID 79189556) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is [4-(4,4-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(4,4-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine
PubChem CID79189556
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name[4-(4,4-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine
SMILESCC1(C)CCN(S(=O)(=O)c2ccc(CN)cc2F)CC1
InChIInChI=1S/C14H21FN2O2S/c1-14(2)5-7-17(8-6-14)20(18,19)13-4-3-11(10-16)9-12(13)15/h3-4,9H,5-8,10,16H2,1-2H3
InChIKeyNOFXRFYZSFTPOK-UHFFFAOYSA-N
XLogP2.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine
CID 79179857
1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 110738659
1-[1-[4-(aminomethyl)-2-fluorophenyl]sulfonylpyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 79179850
1-(2,4-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999288
[4-(3,3-diethylpyrrolidin-1-yl)sulfonyl-3-methylphenyl]methanamine
CID 106997052
[1-(4-chloro-2-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777955
[3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 106996541
1-(2,4-difluorophenyl)sulfonyl-4-(4-ethylphenyl)sulfonylpiperazine
CID 19684620
(4-ethylsulfonyl-3-fluorophenyl)methanamine;hydrochloride
CID 91647705
4-(aminomethyl)-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 106052902
1-[5-(aminomethyl)-2-methylphenyl]sulfonyl-4-methylazepan-4-ol
CID 107404137
4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-fluoroaniline
CID 63156800

Frequently Asked Questions

What is the IUPAC name of [4-(4,4-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine?
The IUPAC name of [4-(4,4-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine (CID 79189556) is [4-(4,4-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(4,4-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(4,4-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine is CC1(C)CCN(S(=O)(=O)c2ccc(CN)cc2F)CC1.
What is the InChIKey of [4-(4,4-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine?
The InChIKey is NOFXRFYZSFTPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-14(2)5-7-17(8-6-14)20(18,19)13-4-3-11(10-16)9-12(13)15/h3-4,9H,5-8,10,16H2,1-2H3.
What are the key properties of [4-(4,4-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine?
[4-(4,4-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine has a molecular weight of 300.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine is sourced from PubChem (CID 79189556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).