[4,4-difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methanamine

C15H25F2N5O2S — CID 58561848

IUPAC[4,4-difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methanamine
SMILESCn1cnc(S(=O)(=O)N2CCN(C3(CN)CCC(F)(F)CC3)CC2)c1
InChIInChI=1S/C15H25F2N5O2S/c1-20-10-13(19-12-20)25(23,24)22-8-6-21(7-9-22)14(11-18)2-4-15(16,17)5-3-14/h10,12H,2-9,11,18H2,1H3
InChIKeyPZWQMSABXOTBFZ-UHFFFAOYSA-N
MW377.46 g/mol
LogP0.63
Rot. Bonds4

About [4,4-difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methanamine

[4,4-difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methanamine (PubChem CID 58561848) has the molecular formula C15H25F2N5O2S and a molecular weight of 377.46 g/mol. Its IUPAC name is [4,4-difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methanamine
PubChem CID58561848
Molecular FormulaC15H25F2N5O2S
Molecular Weight377.46 g/mol
Exact Mass377.17
IUPAC Name[4,4-difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methanamine
SMILESCn1cnc(S(=O)(=O)N2CCN(C3(CN)CCC(F)(F)CC3)CC2)c1
InChIInChI=1S/C15H25F2N5O2S/c1-20-10-13(19-12-20)25(23,24)22-8-6-21(7-9-22)14(11-18)2-4-15(16,17)5-3-14/h10,12H,2-9,11,18H2,1H3
InChIKeyPZWQMSABXOTBFZ-UHFFFAOYSA-N
XLogP0.63
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4,4-difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methanamine?
The IUPAC name of [4,4-difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methanamine (CID 58561848) is [4,4-difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4,4-difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methanamine?
The canonical SMILES for [4,4-difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methanamine is Cn1cnc(S(=O)(=O)N2CCN(C3(CN)CCC(F)(F)CC3)CC2)c1.
What is the InChIKey of [4,4-difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methanamine?
The InChIKey is PZWQMSABXOTBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N5O2S/c1-20-10-13(19-12-20)25(23,24)22-8-6-21(7-9-22)14(11-18)2-4-15(16,17)5-3-14/h10,12H,2-9,11,18H2,1H3.
What are the key properties of [4,4-difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methanamine?
[4,4-difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methanamine has a molecular weight of 377.46 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methanamine is sourced from PubChem (CID 58561848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).