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

C10H14ClN3O2S — CID 97163307

IUPAC(3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine
SMILESC[C@@H]1CN(S(=O)(=O)c2ncccc2Cl)CCN1
InChIInChI=1S/C10H14ClN3O2S/c1-8-7-14(6-5-12-8)17(15,16)10-9(11)3-2-4-13-10/h2-4,8,12H,5-7H2,1H3/t8-/m1/s1
InChIKeyVQMCJHNZEKDHNI-MRVPVSSYSA-N
MW275.76 g/mol
LogP0.72
Rot. Bonds2

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

(3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine (PubChem CID 97163307) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is (3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine
PubChem CID97163307
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name(3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine
SMILESC[C@@H]1CN(S(=O)(=O)c2ncccc2Cl)CCN1
InChIInChI=1S/C10H14ClN3O2S/c1-8-7-14(6-5-12-8)17(15,16)10-9(11)3-2-4-13-10/h2-4,8,12H,5-7H2,1H3/t8-/m1/s1
InChIKeyVQMCJHNZEKDHNI-MRVPVSSYSA-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-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448622
(3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine
CID 86331843
(2S)-1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine
CID 97163398
1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine;hydrochloride
CID 71639579
1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981931
1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-3-methylpiperazine
CID 65449750
1-(2-chloro-6-nitrophenyl)sulfonyl-3-methylpiperazine
CID 119982023
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
1-(furan-2-ylsulfonyl)-3-methylpiperazine
CID 120875176
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448062
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434
2-(3-methylpiperazin-1-yl)sulfonylpyridine-4-carbonitrile;hydrochloride
CID 71639453

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine (CID 97163307) is (3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine is C[C@@H]1CN(S(=O)(=O)c2ncccc2Cl)CCN1.
What is the InChIKey of (3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine?
The InChIKey is VQMCJHNZEKDHNI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-8-7-14(6-5-12-8)17(15,16)10-9(11)3-2-4-13-10/h2-4,8,12H,5-7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine?
(3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-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 (3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine is sourced from PubChem (CID 97163307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).