1-piperazin-1-ylsulfonylcyclopropane-1-carboxylic acid

C8H14N2O4S — CID 115040119

IUPAC1-piperazin-1-ylsulfonylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(S(=O)(=O)N2CCNCC2)CC1
InChIInChI=1S/C8H14N2O4S/c11-7(12)8(1-2-8)15(13,14)10-5-3-9-4-6-10/h9H,1-6H2,(H,11,12)
InChIKeyFDPFYWYOIWYYAD-UHFFFAOYSA-N
MW234.28 g/mol
LogP-1.16
Rot. Bonds3

About 1-piperazin-1-ylsulfonylcyclopropane-1-carboxylic acid

1-piperazin-1-ylsulfonylcyclopropane-1-carboxylic acid (PubChem CID 115040119) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-piperazin-1-ylsulfonylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-piperazin-1-ylsulfonylcyclopropane-1-carboxylic acid
PubChem CID115040119
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name1-piperazin-1-ylsulfonylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(S(=O)(=O)N2CCNCC2)CC1
InChIInChI=1S/C8H14N2O4S/c11-7(12)8(1-2-8)15(13,14)10-5-3-9-4-6-10/h9H,1-6H2,(H,11,12)
InChIKeyFDPFYWYOIWYYAD-UHFFFAOYSA-N
XLogP-1.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid
CID 115048845
3-piperazin-1-ylsulfonylpropanoic acid
CID 61405457
4-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol
CID 81115561
methyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate
CID 146441803
piperazine-1-sulfonamide;hydrochloride
CID 67467256
1-methylsulfonylpiperazine
CID 709161
1-(trifluoromethylsulfonyl)piperazine
CID 18690833
1-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 61405040
1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone
CID 115048528
N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide
CID 103967074
1-cyclopropylsulfonylpiperazine
CID 45496790
4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid
CID 61244103

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylsulfonylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-piperazin-1-ylsulfonylcyclopropane-1-carboxylic acid (CID 115040119) is 1-piperazin-1-ylsulfonylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-piperazin-1-ylsulfonylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-piperazin-1-ylsulfonylcyclopropane-1-carboxylic acid is O=C(O)C1(S(=O)(=O)N2CCNCC2)CC1.
What is the InChIKey of 1-piperazin-1-ylsulfonylcyclopropane-1-carboxylic acid?
The InChIKey is FDPFYWYOIWYYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c11-7(12)8(1-2-8)15(13,14)10-5-3-9-4-6-10/h9H,1-6H2,(H,11,12).
What are the key properties of 1-piperazin-1-ylsulfonylcyclopropane-1-carboxylic acid?
1-piperazin-1-ylsulfonylcyclopropane-1-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylsulfonylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 115040119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).