N-(2-fluoro-4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride

C12H18ClFN2O2S — CID 44890804

IUPACN-(2-fluoro-4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride
SMILESCS(=O)(=O)c1ccc(NC2CCNCC2)c(F)c1.Cl
InChIInChI=1S/C12H17FN2O2S.ClH/c1-18(16,17)10-2-3-12(11(13)8-10)15-9-4-6-14-7-5-9;/h2-3,8-9,14-15H,4-7H2,1H3;1H
InChIKeyDPOCMQDENCVJGT-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.81
Rot. Bonds3

About N-(2-fluoro-4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride

N-(2-fluoro-4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride (PubChem CID 44890804) has the molecular formula C12H18ClFN2O2S and a molecular weight of 308.81 g/mol. Its IUPAC name is N-(2-fluoro-4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-fluoro-4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride
PubChem CID44890804
Molecular FormulaC12H18ClFN2O2S
Molecular Weight308.81 g/mol
Exact Mass308.08
IUPAC NameN-(2-fluoro-4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride
SMILESCS(=O)(=O)c1ccc(NC2CCNCC2)c(F)c1.Cl
InChIInChI=1S/C12H17FN2O2S.ClH/c1-18(16,17)10-2-3-12(11(13)8-10)15-9-4-6-14-7-5-9;/h2-3,8-9,14-15H,4-7H2,1H3;1H
InChIKeyDPOCMQDENCVJGT-UHFFFAOYSA-N
XLogP1.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Benzenesulfonylphenyl)piperazine
CID 5113605
1-(4-(Methylsulfonyl)phenyl)piperazine
CID 735904
Thiol-aryl sulfone, 13
CID 25138253
Thiol-aryl sulfone, 16
CID 25138254
1-[2-Fluoro-4-(methylsulfonyl)phenyl]piperazine
CID 2782730
4-fluoro-N-(4-(methylsulfonyl)phenyl)aniline
CID 46937407
Thiol-aryl sulfone, 25
CID 25138257
trans-(1R,3R)-3-[4-(but-2-ynylamino)phenyl]sulfonylcyclohexane-1-thiol
CID 44446363
4-(2-Fluoropropylamino)Benzenesulfonamide
CID 71578980
4-[4-(Methylamino)phenyl]sulfonylaniline
CID 504062
4-[(4-Aminophenyl)sulfonyl]-n-propylaniline
CID 223181
4-methanesulfonyl-N-(propan-2-yl)aniline
CID 28453403

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride?
The IUPAC name of N-(2-fluoro-4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride (CID 44890804) is N-(2-fluoro-4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(2-fluoro-4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for N-(2-fluoro-4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride is CS(=O)(=O)c1ccc(NC2CCNCC2)c(F)c1.Cl.
What is the InChIKey of N-(2-fluoro-4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride?
The InChIKey is DPOCMQDENCVJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S.ClH/c1-18(16,17)10-2-3-12(11(13)8-10)15-9-4-6-14-7-5-9;/h2-3,8-9,14-15H,4-7H2,1H3;1H.
What are the key properties of N-(2-fluoro-4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride?
N-(2-fluoro-4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 44890804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).