(3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine

C11H18N2O2S2 — CID 104975146

IUPAC(3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN[C@H](C)C2)c(C)s1
InChIInChI=1S/C11H18N2O2S2/c1-8-7-13(5-4-12-8)17(14,15)11-6-9(2)16-10(11)3/h6,8,12H,4-5,7H2,1-3H3/t8-/m1/s1
InChIKeyYPBUWHXHVZEYTP-MRVPVSSYSA-N
MW274.41 g/mol
LogP1.35
Rot. Bonds2

About (3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine

(3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine (PubChem CID 104975146) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is (3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine
PubChem CID104975146
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name(3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN[C@H](C)C2)c(C)s1
InChIInChI=1S/C11H18N2O2S2/c1-8-7-13(5-4-12-8)17(14,15)11-6-9(2)16-10(11)3/h6,8,12H,4-5,7H2,1-3H3/t8-/m1/s1
InChIKeyYPBUWHXHVZEYTP-MRVPVSSYSA-N
XLogP1.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine
CID 63874056
(3S)-1-(2,5-dibromothiophen-3-yl)sulfonyl-3-methylpiperazine
CID 104976633
5-(2,5-dimethylthiophen-3-yl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210855
1-(2,5-dimethylthiophen-3-yl)sulfonyl-1,4-diazepan-5-one
CID 60709201
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine
CID 718928
(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol
CID 93084328
(3S)-1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 104976424
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine
CID 103100544
1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981915
(3R)-1-(2-fluoro-5-methylphenyl)sulfonyl-3-methylpiperazine
CID 104975157
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-amine
CID 43556372
(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 104975074

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine?
The IUPAC name of (3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine (CID 104975146) is (3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine.
What is the SMILES notation for (3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine?
The canonical SMILES for (3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine is Cc1cc(S(=O)(=O)N2CCN[C@H](C)C2)c(C)s1.
What is the InChIKey of (3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine?
The InChIKey is YPBUWHXHVZEYTP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-8-7-13(5-4-12-8)17(14,15)11-6-9(2)16-10(11)3/h6,8,12H,4-5,7H2,1-3H3/t8-/m1/s1.
What are the key properties of (3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine?
(3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine has a molecular weight of 274.41 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine is sourced from PubChem (CID 104975146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).