N-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine

C17H23F3N2O2S — CID 119987410

IUPACN-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
SMILESCc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H23F3N2O2S/c1-12-2-5-14(17(18,19)20)10-16(12)25(23,24)22-8-6-15(7-9-22)21-11-13-3-4-13/h2,5,10,13,15,21H,3-4,6-9,11H2,1H3
InChIKeyPMOZNTHJJBNCHA-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.17
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine

N-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine (PubChem CID 119987410) has the molecular formula C17H23F3N2O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
PubChem CID119987410
Molecular FormulaC17H23F3N2O2S
Molecular Weight376.44 g/mol
Exact Mass376.14
IUPAC NameN-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
SMILESCc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H23F3N2O2S/c1-12-2-5-14(17(18,19)20)10-16(12)25(23,24)22-8-6-15(7-9-22)21-11-13-3-4-13/h2,5,10,13,15,21H,3-4,6-9,11H2,1H3
InChIKeyPMOZNTHJJBNCHA-UHFFFAOYSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine
CID 119987431
N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990240
methyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-4-methylbenzoate
CID 119987827
N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987428
N-(cyclopropylmethyl)-1-(2,4-difluoro-5-methylphenyl)sulfonylpiperidin-4-amine
CID 119987503
N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine
CID 120711454
1-[1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978495
1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 120711384
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine
CID 86784647
N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 120841490
4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-3-methylbenzonitrile
CID 119987403
1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine
CID 120894115

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine (CID 119987410) is N-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine is Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine?
The InChIKey is PMOZNTHJJBNCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2S/c1-12-2-5-14(17(18,19)20)10-16(12)25(23,24)22-8-6-15(7-9-22)21-11-13-3-4-13/h2,5,10,13,15,21H,3-4,6-9,11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine?
N-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine has a molecular weight of 376.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine is sourced from PubChem (CID 119987410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).