(2S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]-2-methylpiperazine

C10H14FN3O2S — CID 82755664

IUPAC(2S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]-2-methylpiperazine
SMILESC[C@H]1CNCCN1S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C10H14FN3O2S/c1-8-5-12-2-3-14(8)17(15,16)10-4-9(11)6-13-7-10/h4,6-8,12H,2-3,5H2,1H3/t8-/m0/s1
InChIKeyQQVMSHWQULZIRV-QMMMGPOBSA-N
MW259.31 g/mol
LogP0.20
Rot. Bonds2

About (2S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]-2-methylpiperazine

(2S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]-2-methylpiperazine (PubChem CID 82755664) has the molecular formula C10H14FN3O2S and a molecular weight of 259.31 g/mol. Its IUPAC name is (2S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]-2-methylpiperazine
PubChem CID82755664
Molecular FormulaC10H14FN3O2S
Molecular Weight259.31 g/mol
Exact Mass259.08
IUPAC Name(2S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]-2-methylpiperazine
SMILESC[C@H]1CNCCN1S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C10H14FN3O2S/c1-8-5-12-2-3-14(8)17(15,16)10-4-9(11)6-13-7-10/h4,6-8,12H,2-3,5H2,1H3/t8-/m0/s1
InChIKeyQQVMSHWQULZIRV-QMMMGPOBSA-N
XLogP0.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine
CID 82756368
(2R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-2-methylpiperazine
CID 82755884
(2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716849
1-(3-chloro-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672089
(2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 120716934
1-(3-fluoro-4-methylsulfonylphenyl)sulfonyl-2-methylpiperazine
CID 119969695
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760
3-methyl-5-(2-methylpiperazin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine
CID 119969885
(2R)-1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperazine
CID 82755279
(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571
(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
1-(3-fluoro-4-methylsulfonylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969694

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]-2-methylpiperazine?
The IUPAC name of (2S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]-2-methylpiperazine (CID 82755664) is (2S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]-2-methylpiperazine.
What is the SMILES notation for (2S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]-2-methylpiperazine?
The canonical SMILES for (2S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]-2-methylpiperazine is C[C@H]1CNCCN1S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of (2S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]-2-methylpiperazine?
The InChIKey is QQVMSHWQULZIRV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14FN3O2S/c1-8-5-12-2-3-14(8)17(15,16)10-4-9(11)6-13-7-10/h4,6-8,12H,2-3,5H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]-2-methylpiperazine?
(2S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]-2-methylpiperazine has a molecular weight of 259.31 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]-2-methylpiperazine is sourced from PubChem (CID 82755664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).