4-(2-methylsulfonylethylsulfonyl)piperazine-1-sulfonamide

C7H17N3O6S3 — CID 63242667

IUPAC4-(2-methylsulfonylethylsulfonyl)piperazine-1-sulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C7H17N3O6S3/c1-17(11,12)6-7-18(13,14)9-2-4-10(5-3-9)19(8,15)16/h2-7H2,1H3,(H2,8,15,16)
InChIKeyKLCHAFKJBOWGTG-UHFFFAOYSA-N
MW335.43 g/mol
LogP-2.82
Rot. Bonds5

About 4-(2-methylsulfonylethylsulfonyl)piperazine-1-sulfonamide

4-(2-methylsulfonylethylsulfonyl)piperazine-1-sulfonamide (PubChem CID 63242667) has the molecular formula C7H17N3O6S3 and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-(2-methylsulfonylethylsulfonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-methylsulfonylethylsulfonyl)piperazine-1-sulfonamide
PubChem CID63242667
Molecular FormulaC7H17N3O6S3
Molecular Weight335.43 g/mol
Exact Mass335.03
IUPAC Name4-(2-methylsulfonylethylsulfonyl)piperazine-1-sulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C7H17N3O6S3/c1-17(11,12)6-7-18(13,14)9-2-4-10(5-3-9)19(8,15)16/h2-7H2,1H3,(H2,8,15,16)
InChIKeyKLCHAFKJBOWGTG-UHFFFAOYSA-N
XLogP-2.82
TPSA134.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 5-2.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 64592112
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CID 63245132
4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide
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methyl 4-(4-sulfamoylpiperazin-1-yl)sulfonylbutanoate
CID 61457490
4-methylpiperazine-1-sulfonamide
CID 14326005
2-methyl-3-[4-(2-methylsulfonylethylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63244986
2-[4-(2-methylsulfonylethylsulfonyl)-1,4-diazepan-1-yl]acetic acid
CID 63245046
1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine
CID 55173688
4-(2-methylsulfonylethylsulfonyl)piperazine-2,6-dione
CID 66084609
3-(bromomethyl)-1-(2-methylsulfonylethylsulfonyl)pyrrolidine
CID 80674505
3,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine;hydrochloride
CID 119980573

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethylsulfonyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(2-methylsulfonylethylsulfonyl)piperazine-1-sulfonamide (CID 63242667) is 4-(2-methylsulfonylethylsulfonyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-methylsulfonylethylsulfonyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(2-methylsulfonylethylsulfonyl)piperazine-1-sulfonamide is CS(=O)(=O)CCS(=O)(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-(2-methylsulfonylethylsulfonyl)piperazine-1-sulfonamide?
The InChIKey is KLCHAFKJBOWGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O6S3/c1-17(11,12)6-7-18(13,14)9-2-4-10(5-3-9)19(8,15)16/h2-7H2,1H3,(H2,8,15,16).
What are the key properties of 4-(2-methylsulfonylethylsulfonyl)piperazine-1-sulfonamide?
4-(2-methylsulfonylethylsulfonyl)piperazine-1-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of -2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylethylsulfonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 63242667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).