pentafluoro-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-λ6-sulfane

C10H14F5N3S — CID 167436758

IUPACpentafluoro-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-λ6-sulfane
SMILESC[C@@H]1CN(c2ccc(S(F)(F)(F)(F)F)cn2)CCN1
InChIInChI=1S/C10H14F5N3S/c1-8-7-18(5-4-16-8)10-3-2-9(6-17-10)19(11,12,13,14)15/h2-3,6,8,16H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyHBCPJMIEPVBXRC-MRVPVSSYSA-N
MW303.30 g/mol
LogP3.54
Rot. Bonds2

About pentafluoro-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-λ6-sulfane

pentafluoro-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-λ6-sulfane (PubChem CID 167436758) has the molecular formula C10H14F5N3S and a molecular weight of 303.30 g/mol. Its IUPAC name is pentafluoro-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-λ6-sulfane
PubChem CID167436758
Molecular FormulaC10H14F5N3S
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Namepentafluoro-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-λ6-sulfane
SMILESC[C@@H]1CN(c2ccc(S(F)(F)(F)(F)F)cn2)CCN1
InChIInChI=1S/C10H14F5N3S/c1-8-7-18(5-4-16-8)10-3-2-9(6-17-10)19(11,12,13,14)15/h2-3,6,8,16H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyHBCPJMIEPVBXRC-MRVPVSSYSA-N
XLogP3.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine
CID 94450647
(3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine
CID 94450635
3-methyl-6-(3-methylpiperazin-1-yl)pyridazine
CID 62478379
5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 104977378
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 94586892
5-(5-propan-2-yl-2-pyridinyl)-8-oxa-2,5-diazabicyclo[5.1.0]octane
CID 155198546
N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine
CID 104976030
2-methyl-6-(3-methylpiperazin-1-yl)pyridin-3-amine
CID 174591427
3-[(3S)-3-methylpiperazin-1-yl]pyridazine
CID 94453251
2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine
CID 94450675
2,5-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]pyrazine
CID 94450674
5-[(3R)-3-methylpiperazin-1-yl]pyridin-2-amine
CID 141318309

Frequently Asked Questions

What is the IUPAC name of pentafluoro-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-λ6-sulfane?
The IUPAC name of pentafluoro-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-λ6-sulfane (CID 167436758) is pentafluoro-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-λ6-sulfane is C[C@@H]1CN(c2ccc(S(F)(F)(F)(F)F)cn2)CCN1.
What is the InChIKey of pentafluoro-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-λ6-sulfane?
The InChIKey is HBCPJMIEPVBXRC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14F5N3S/c1-8-7-18(5-4-16-8)10-3-2-9(6-17-10)19(11,12,13,14)15/h2-3,6,8,16H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of pentafluoro-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-λ6-sulfane?
pentafluoro-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-λ6-sulfane has a molecular weight of 303.30 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-λ6-sulfane is sourced from PubChem (CID 167436758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).