N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride

C13H18ClF3N2O3S — CID 120714915

IUPACN-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1.Cl
InChIInChI=1S/C13H17F3N2O3S.ClH/c1-17-10-3-2-8-18(9-10)22(19,20)12-6-4-11(5-7-12)21-13(14,15)16;/h4-7,10,17H,2-3,8-9H2,1H3;1H
InChIKeyCIGWSSVSXYMVCB-UHFFFAOYSA-N
MW374.81 g/mol
LogP2.38
Rot. Bonds4

About N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride

N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride (PubChem CID 120714915) has the molecular formula C13H18ClF3N2O3S and a molecular weight of 374.81 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
PubChem CID120714915
Molecular FormulaC13H18ClF3N2O3S
Molecular Weight374.81 g/mol
Exact Mass374.07
IUPAC NameN-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1.Cl
InChIInChI=1S/C13H17F3N2O3S.ClH/c1-17-10-3-2-8-18(9-10)22(19,20)12-6-4-11(5-7-12)21-13(14,15)16;/h4-7,10,17H,2-3,8-9H2,1H3;1H
InChIKeyCIGWSSVSXYMVCB-UHFFFAOYSA-N
XLogP2.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.81
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide
CID 26412918
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715200
N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine
CID 120714670
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714978
(3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine
CID 124627734
N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714741
1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715228
4-[3-(methylamino)piperidin-1-yl]sulfonylbenzonitrile
CID 62536756
N-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide
CID 24958593
5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 121018022
N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714757

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride (CID 120714915) is N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride is CNC1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1.Cl.
What is the InChIKey of N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is CIGWSSVSXYMVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3S.ClH/c1-17-10-3-2-8-18(9-10)22(19,20)12-6-4-11(5-7-12)21-13(14,15)16;/h4-7,10,17H,2-3,8-9H2,1H3;1H.
What are the key properties of N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride?
N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride has a molecular weight of 374.81 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 120714915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).