1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylimidazol-4-amine

C10H16F3N5O2S — CID 63978703

IUPAC1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylimidazol-4-amine
SMILESCn1cnc(N)c1S(=O)(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N5O2S/c1-16-7-15-8(14)9(16)21(19,20)18-4-2-17(3-5-18)6-10(11,12)13/h7H,2-6,14H2,1H3
InChIKeyWZAMWYVHLMHJGW-UHFFFAOYSA-N
MW327.33 g/mol
LogP-0.13
Rot. Bonds3

About 1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylimidazol-4-amine

1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylimidazol-4-amine (PubChem CID 63978703) has the molecular formula C10H16F3N5O2S and a molecular weight of 327.33 g/mol. Its IUPAC name is 1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylimidazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylimidazol-4-amine
PubChem CID63978703
Molecular FormulaC10H16F3N5O2S
Molecular Weight327.33 g/mol
Exact Mass327.10
IUPAC Name1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylimidazol-4-amine
SMILESCn1cnc(N)c1S(=O)(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N5O2S/c1-16-7-15-8(14)9(16)21(19,20)18-4-2-17(3-5-18)6-10(11,12)13/h7H,2-6,14H2,1H3
InChIKeyWZAMWYVHLMHJGW-UHFFFAOYSA-N
XLogP-0.13
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylimidazol-4-amine?
The IUPAC name of 1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylimidazol-4-amine (CID 63978703) is 1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylimidazol-4-amine.
What is the SMILES notation for 1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylimidazol-4-amine?
The canonical SMILES for 1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylimidazol-4-amine is Cn1cnc(N)c1S(=O)(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylimidazol-4-amine?
The InChIKey is WZAMWYVHLMHJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O2S/c1-16-7-15-8(14)9(16)21(19,20)18-4-2-17(3-5-18)6-10(11,12)13/h7H,2-6,14H2,1H3.
What are the key properties of 1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylimidazol-4-amine?
1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylimidazol-4-amine has a molecular weight of 327.33 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylimidazol-4-amine is sourced from PubChem (CID 63978703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).