1-(3-chlorothiophen-2-yl)sulfonyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine

C18H20ClF3N2O2S2 — CID 90691140

IUPAC1-(3-chlorothiophen-2-yl)sulfonyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine
SMILESCC(NC1CCN(S(=O)(=O)c2sccc2Cl)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H20ClF3N2O2S2/c1-12(13-2-4-14(5-3-13)18(20,21)22)23-15-6-9-24(10-7-15)28(25,26)17-16(19)8-11-27-17/h2-5,8,11-12,15,23H,6-7,9-10H2,1H3
InChIKeyOYVAXCDXLZLUBI-UHFFFAOYSA-N
MW452.95 g/mol
LogP4.92
Rot. Bonds5

About 1-(3-chlorothiophen-2-yl)sulfonyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine

1-(3-chlorothiophen-2-yl)sulfonyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine (PubChem CID 90691140) has the molecular formula C18H20ClF3N2O2S2 and a molecular weight of 452.95 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)sulfonyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)sulfonyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine
PubChem CID90691140
Molecular FormulaC18H20ClF3N2O2S2
Molecular Weight452.95 g/mol
Exact Mass452.06
IUPAC Name1-(3-chlorothiophen-2-yl)sulfonyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine
SMILESCC(NC1CCN(S(=O)(=O)c2sccc2Cl)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H20ClF3N2O2S2/c1-12(13-2-4-14(5-3-13)18(20,21)22)23-15-6-9-24(10-7-15)28(25,26)17-16(19)8-11-27-17/h2-5,8,11-12,15,23H,6-7,9-10H2,1H3
InChIKeyOYVAXCDXLZLUBI-UHFFFAOYSA-N
XLogP4.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.95
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 134803606
CID 134803606
N-(1-benzylpiperidin-4-yl)thiophene-2-sulfonamide
CID 2747499
N-[(1-benzylpiperidin-4-yl)methyl]-5-chlorothiophene-2-sulfonamide
CID 16887798
1-(4-chlorophenyl)-N-(2-(4-methylpiperazin-1-yl)-2-(thiophen-3-yl)ethyl)methanesulfonamide
CID 16933004
5-chloro-N-(2-(dimethylamino)-2-(4-fluorophenyl)ethyl)thiophene-2-sulfonamide
CID 18589477
N-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]thiophene-2-sulfonamide
CID 24230568
N-((1-(thiophen-3-ylmethyl)piperidin-4-yl)methyl)-1-(4-(trifluoromethyl)phenyl)methanesulfonamide
CID 71796741
N-dodecyl-5-({[4-(trifluoromethyl)benzyl]amino}methyl)thiophene-2-sulfonamide
CID 25023665
N-[2-(4-chlorophenyl)propyl]-5-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-sulfonamide
CID 69156870
N-[2-(4-chlorophenyl)propyl]-5-[[ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiophene-2-sulfonamide
CID 69158430
2-(3-chloro-4-methylsulfonylthiophen-2-yl)-4-(3,5-difluorophenyl)-1-N-[(3-ethylphenyl)methyl]butane-1,3-diamine
CID 69320461
3-Dodecyl-5-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-sulfonamide
CID 69876903

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)sulfonyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)sulfonyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine (CID 90691140) is 1-(3-chlorothiophen-2-yl)sulfonyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)sulfonyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)sulfonyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine is CC(NC1CCN(S(=O)(=O)c2sccc2Cl)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)sulfonyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine?
The InChIKey is OYVAXCDXLZLUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF3N2O2S2/c1-12(13-2-4-14(5-3-13)18(20,21)22)23-15-6-9-24(10-7-15)28(25,26)17-16(19)8-11-27-17/h2-5,8,11-12,15,23H,6-7,9-10H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)sulfonyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine?
1-(3-chlorothiophen-2-yl)sulfonyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine has a molecular weight of 452.95 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)sulfonyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine is sourced from PubChem (CID 90691140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).