1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine

C12H20N2O2S2 — CID 63874056

IUPAC1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine
SMILESCc1cc(S(=O)(=O)N2CC(C)NC(C)C2)c(C)s1
InChIInChI=1S/C12H20N2O2S2/c1-8-6-14(7-9(2)13-8)18(15,16)12-5-10(3)17-11(12)4/h5,8-9,13H,6-7H2,1-4H3
InChIKeyXRXXVNHXVQAYEN-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.74
Rot. Bonds2

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

1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine (PubChem CID 63874056) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine
PubChem CID63874056
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine
SMILESCc1cc(S(=O)(=O)N2CC(C)NC(C)C2)c(C)s1
InChIInChI=1S/C12H20N2O2S2/c1-8-6-14(7-9(2)13-8)18(15,16)12-5-10(3)17-11(12)4/h5,8-9,13H,6-7H2,1-4H3
InChIKeyXRXXVNHXVQAYEN-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine
CID 104975146
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)sulfonylpiperidine
CID 718928
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-amine
CID 43556372
1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine
CID 119979998
(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol
CID 93084328
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine
CID 79987539
1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine
CID 60540170
(3S,4R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120767198
1-(2,5-dimethylthiophen-3-yl)sulfonyl-1,4-diazepan-5-one
CID 60709201
2-[(3R)-1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidin-3-yl]oxyacetic acid
CID 166263446
(3S,5S)-3,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine
CID 42325544

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine (CID 63874056) is 1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine is Cc1cc(S(=O)(=O)N2CC(C)NC(C)C2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine?
The InChIKey is XRXXVNHXVQAYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-8-6-14(7-9(2)13-8)18(15,16)12-5-10(3)17-11(12)4/h5,8-9,13H,6-7H2,1-4H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine?
1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine has a molecular weight of 288.44 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine is sourced from PubChem (CID 63874056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).