4-cyclopropylsulfonylpiperazine-1-carboxylic acid

C8H14N2O4S — CID 67979494

IUPAC4-cyclopropylsulfonylpiperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C8H14N2O4S/c11-8(12)9-3-5-10(6-4-9)15(13,14)7-1-2-7/h7H,1-6H2,(H,11,12)
InChIKeyBAEHLBXPSRFKKC-UHFFFAOYSA-N
MW234.28 g/mol
LogP-0.23
Rot. Bonds2

About 4-cyclopropylsulfonylpiperazine-1-carboxylic acid

4-cyclopropylsulfonylpiperazine-1-carboxylic acid (PubChem CID 67979494) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-cyclopropylsulfonylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropylsulfonylpiperazine-1-carboxylic acid
PubChem CID67979494
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name4-cyclopropylsulfonylpiperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C8H14N2O4S/c11-8(12)9-3-5-10(6-4-9)15(13,14)7-1-2-7/h7H,1-6H2,(H,11,12)
InChIKeyBAEHLBXPSRFKKC-UHFFFAOYSA-N
XLogP-0.23
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Chloropropylsulfonyl)piperazine-1-carboxylic acid
CID 21268035
4-Ethylsulfonylpiperazine-1-carboxylic acid
CID 59118041
4-[2-(1,1-Dioxo-1,2-thiazolidin-2-yl)ethyl]piperazine-1-carboxylic acid
CID 69153447
4-Pentylsulfonylpiperazine-1-carboxylic acid
CID 69244865
4-[2-(Dimethylamino)ethylsulfonyl]piperazine-1-carboxylic acid
CID 91280191
Cyclopropylsulfonyl piperazine-1-carboxylate
CID 118918463
4-Propylsulfonylpiperazine-1-carboxylic acid
CID 141617046
4-(3-Iodopropylsulfonyl)piperazine-1-carboxylic acid
CID 21268051
2-(4-Acetylpiperazin-1-yl)sulfonylacetic acid
CID 28773690
4-(Cyclopropylsulfonyl)piperazine-1-carbaldehyde
CID 49715068
4-Cyclohexylsulfonylpiperazine-1-carboxylic acid
CID 153941189

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonylpiperazine-1-carboxylic acid?
The IUPAC name of 4-cyclopropylsulfonylpiperazine-1-carboxylic acid (CID 67979494) is 4-cyclopropylsulfonylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-cyclopropylsulfonylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-cyclopropylsulfonylpiperazine-1-carboxylic acid is O=C(O)N1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 4-cyclopropylsulfonylpiperazine-1-carboxylic acid?
The InChIKey is BAEHLBXPSRFKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c11-8(12)9-3-5-10(6-4-9)15(13,14)7-1-2-7/h7H,1-6H2,(H,11,12).
What are the key properties of 4-cyclopropylsulfonylpiperazine-1-carboxylic acid?
4-cyclopropylsulfonylpiperazine-1-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonylpiperazine-1-carboxylic acid is sourced from PubChem (CID 67979494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).