(3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine

C10H15N3O2S — CID 86331843

IUPAC(3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine
SMILESC[C@H]1CN(S(=O)(=O)c2ccccn2)CCN1
InChIInChI=1S/C10H15N3O2S/c1-9-8-13(7-6-11-9)16(14,15)10-4-2-3-5-12-10/h2-5,9,11H,6-8H2,1H3/t9-/m0/s1
InChIKeyQBSUJFRAVFMRLL-VIFPVBQESA-N
MW241.32 g/mol
LogP0.06
Rot. Bonds2

About (3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine

(3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine (PubChem CID 86331843) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is (3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name(3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine
PubChem CID86331843
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name(3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine
SMILESC[C@H]1CN(S(=O)(=O)c2ccccn2)CCN1
InChIInChI=1S/C10H15N3O2S/c1-9-8-13(7-6-11-9)16(14,15)10-4-2-3-5-12-10/h2-5,9,11H,6-8H2,1H3/t9-/m0/s1
InChIKeyQBSUJFRAVFMRLL-VIFPVBQESA-N
XLogP0.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine
CID 97163307
2-(3-methylpiperazin-1-yl)sulfonylpyridine-4-carbonitrile;hydrochloride
CID 71639453
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
3-methyl-1-(pyridin-2-ylmethylsulfonyl)piperazine;hydrochloride
CID 71639477
(3S)-3-methyl-1-[(5-nitro-2-pyridinyl)sulfonyl]piperazine
CID 97163318
1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 91660222
1-pyridin-2-ylsulfonyl-1,4-diazepane
CID 86784566
(3S)-1-pyridin-2-ylsulfonylpiperidin-3-amine
CID 86331837
1-(2-ethylphenyl)sulfonyl-3-methylpiperazine
CID 120710396
1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448622
(3S,4S)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine
CID 177300179
3-methyl-1-(2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 119981791

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine?
The IUPAC name of (3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine (CID 86331843) is (3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine.
What is the SMILES notation for (3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine?
The canonical SMILES for (3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine is C[C@H]1CN(S(=O)(=O)c2ccccn2)CCN1.
What is the InChIKey of (3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine?
The InChIKey is QBSUJFRAVFMRLL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-9-8-13(7-6-11-9)16(14,15)10-4-2-3-5-12-10/h2-5,9,11H,6-8H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine?
(3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine has a molecular weight of 241.32 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine is sourced from PubChem (CID 86331843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).