1-[1-[4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-5-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide

C19H30F3N3O3S — CID 142688986

IUPAC1-[1-[4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-5-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
SMILESCNC(CC(C)C)C(=O)N1CCC(C2(S(N)(=O)=O)C=CC=C(C(F)(F)F)C2)CC1
InChIInChI=1S/C19H30F3N3O3S/c1-13(2)11-16(24-3)17(26)25-9-6-14(7-10-25)18(29(23,27)28)8-4-5-15(12-18)19(20,21)22/h4-5,8,13-14,16,24H,6-7,9-12H2,1-3H3,(H2,23,27,28)
InChIKeyLSARDCIYEKIQBC-UHFFFAOYSA-N
MW437.53 g/mol
LogP2.34
Rot. Bonds6

About 1-[1-[4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-5-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide

1-[1-[4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-5-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide (PubChem CID 142688986) has the molecular formula C19H30F3N3O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is 1-[1-[4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-5-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name1-[1-[4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-5-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
PubChem CID142688986
Molecular FormulaC19H30F3N3O3S
Molecular Weight437.53 g/mol
Exact Mass437.20
IUPAC Name1-[1-[4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-5-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
SMILESCNC(CC(C)C)C(=O)N1CCC(C2(S(N)(=O)=O)C=CC=C(C(F)(F)F)C2)CC1
InChIInChI=1S/C19H30F3N3O3S/c1-13(2)11-16(24-3)17(26)25-9-6-14(7-10-25)18(29(23,27)28)8-4-5-15(12-18)19(20,21)22/h4-5,8,13-14,16,24H,6-7,9-12H2,1-3H3,(H2,23,27,28)
InChIKeyLSARDCIYEKIQBC-UHFFFAOYSA-N
XLogP2.34
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-5-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 1-[1-[4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-5-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide (CID 142688986) is 1-[1-[4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-5-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 1-[1-[4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-5-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 1-[1-[4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-5-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide is CNC(CC(C)C)C(=O)N1CCC(C2(S(N)(=O)=O)C=CC=C(C(F)(F)F)C2)CC1.
What is the InChIKey of 1-[1-[4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-5-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is LSARDCIYEKIQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F3N3O3S/c1-13(2)11-16(24-3)17(26)25-9-6-14(7-10-25)18(29(23,27)28)8-4-5-15(12-18)19(20,21)22/h4-5,8,13-14,16,24H,6-7,9-12H2,1-3H3,(H2,23,27,28).
What are the key properties of 1-[1-[4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-5-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide?
1-[1-[4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-5-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 437.53 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-5-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 142688986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).