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

C7H15N3O3S2 — CID 61130329

IUPAC4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide
SMILESCSCC(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C7H15N3O3S2/c1-14-6-7(11)9-2-4-10(5-3-9)15(8,12)13/h2-6H2,1H3,(H2,8,12,13)
InChIKeyUNKANJVBBSBWGA-UHFFFAOYSA-N
MW253.35 g/mol
LogP-1.30
Rot. Bonds3

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

4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide (PubChem CID 61130329) has the molecular formula C7H15N3O3S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide
PubChem CID61130329
Molecular FormulaC7H15N3O3S2
Molecular Weight253.35 g/mol
Exact Mass253.06
IUPAC Name4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide
SMILESCSCC(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C7H15N3O3S2/c1-14-6-7(11)9-2-4-10(5-3-9)15(8,12)13/h2-6H2,1H3,(H2,8,12,13)
InChIKeyUNKANJVBBSBWGA-UHFFFAOYSA-N
XLogP-1.30
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aziridin-1-yl)-2-methylsulfanylethanone
CID 130677613
4-(3-aminobutanoyl)piperazine-1-sulfonamide
CID 61042216
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 26865936
1-(azetidin-1-yl)-2-methylsulfanylethanone
CID 128928827
4-pentanoylpiperazine-1-sulfonamide
CID 61072587
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-methylsulfanylethanone
CID 9495863
4-(4-hydroxybutanoyl)piperazine-1-sulfonamide
CID 79191251
4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide
CID 113235213
6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid
CID 54916393
1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylsulfanylethanone
CID 9298446
4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide
CID 54916794
4-pent-4-ynoylpiperazine-1-sulfonamide
CID 106741442

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide (CID 61130329) is 4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide is CSCC(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide?
The InChIKey is UNKANJVBBSBWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3S2/c1-14-6-7(11)9-2-4-10(5-3-9)15(8,12)13/h2-6H2,1H3,(H2,8,12,13).
What are the key properties of 4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide?
4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide has a molecular weight of 253.35 g/mol, XLogP of -1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61130329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).