[4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine

C15H23FN2O2S — CID 79179857

IUPAC[4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine
SMILESCCC1(C)CCN(S(=O)(=O)c2ccc(CN)cc2F)CC1
InChIInChI=1S/C15H23FN2O2S/c1-3-15(2)6-8-18(9-7-15)21(19,20)14-5-4-12(11-17)10-13(14)16/h4-5,10H,3,6-9,11,17H2,1-2H3
InChIKeyUAAXAJKYJTXZMN-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.49
Rot. Bonds4

About [4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine

[4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine (PubChem CID 79179857) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is [4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine
PubChem CID79179857
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name[4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine
SMILESCCC1(C)CCN(S(=O)(=O)c2ccc(CN)cc2F)CC1
InChIInChI=1S/C15H23FN2O2S/c1-3-15(2)6-8-18(9-7-15)21(19,20)14-5-4-12(11-17)10-13(14)16/h4-5,10H,3,6-9,11,17H2,1-2H3
InChIKeyUAAXAJKYJTXZMN-UHFFFAOYSA-N
XLogP2.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine?
The IUPAC name of [4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine (CID 79179857) is [4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine is CCC1(C)CCN(S(=O)(=O)c2ccc(CN)cc2F)CC1.
What is the InChIKey of [4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine?
The InChIKey is UAAXAJKYJTXZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-3-15(2)6-8-18(9-7-15)21(19,20)14-5-4-12(11-17)10-13(14)16/h4-5,10H,3,6-9,11,17H2,1-2H3.
What are the key properties of [4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine?
[4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine has a molecular weight of 314.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine is sourced from PubChem (CID 79179857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).