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

C10H14ClN3O2S — CID 97163398

IUPAC(2S)-1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine
SMILESC[C@H]1CNCCN1S(=O)(=O)c1ncccc1Cl
InChIInChI=1S/C10H14ClN3O2S/c1-8-7-12-5-6-14(8)17(15,16)10-9(11)3-2-4-13-10/h2-4,8,12H,5-7H2,1H3/t8-/m0/s1
InChIKeyQUESGKWOEGRXOY-QMMMGPOBSA-N
MW275.76 g/mol
LogP0.72
Rot. Bonds2

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

(2S)-1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine (PubChem CID 97163398) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is (2S)-1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine
PubChem CID97163398
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name(2S)-1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine
SMILESC[C@H]1CNCCN1S(=O)(=O)c1ncccc1Cl
InChIInChI=1S/C10H14ClN3O2S/c1-8-7-12-5-6-14(8)17(15,16)10-9(11)3-2-4-13-10/h2-4,8,12H,5-7H2,1H3/t8-/m0/s1
InChIKeyQUESGKWOEGRXOY-QMMMGPOBSA-N
XLogP0.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine;hydrochloride
CID 71639579
2-(2-methylpiperazin-1-yl)sulfonylpyridine-3-carbonitrile;hydrochloride
CID 71639577
(3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine
CID 97163307
(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperazine
CID 82755095
3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 24749263
4-chloro-3-[(2S)-2-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 82755462
(2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine
CID 82755471
(2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine
CID 129372961
(2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
CID 120717146
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine
CID 62672958
2-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperazine
CID 104710234
8-(2-methylpiperazin-1-yl)sulfonyl-5-nitroquinoline;hydrochloride
CID 120708058

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine?
The IUPAC name of (2S)-1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine (CID 97163398) is (2S)-1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine.
What is the SMILES notation for (2S)-1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine?
The canonical SMILES for (2S)-1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine is C[C@H]1CNCCN1S(=O)(=O)c1ncccc1Cl.
What is the InChIKey of (2S)-1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine?
The InChIKey is QUESGKWOEGRXOY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-8-7-12-5-6-14(8)17(15,16)10-9(11)3-2-4-13-10/h2-4,8,12H,5-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine?
(2S)-1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine has a molecular weight of 275.76 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine is sourced from PubChem (CID 97163398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).