1-[(4-acetylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid

C13H23N3O5S — CID 11515500

IUPAC1-[(4-acetylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCC(=O)N1CCN(S(=O)(=O)NC2(C(=O)O)CCCCC2)CC1
InChIInChI=1S/C13H23N3O5S/c1-11(17)15-7-9-16(10-8-15)22(20,21)14-13(12(18)19)5-3-2-4-6-13/h14H,2-10H2,1H3,(H,18,19)
InChIKeyUTZGAVHCJQETHC-UHFFFAOYSA-N
MW333.41 g/mol
LogP-0.23
Rot. Bonds4

About 1-[(4-acetylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid

1-[(4-acetylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 11515500) has the molecular formula C13H23N3O5S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-[(4-acetylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-acetylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID11515500
Molecular FormulaC13H23N3O5S
Molecular Weight333.41 g/mol
Exact Mass333.14
IUPAC Name1-[(4-acetylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCC(=O)N1CCN(S(=O)(=O)NC2(C(=O)O)CCCCC2)CC1
InChIInChI=1S/C13H23N3O5S/c1-11(17)15-7-9-16(10-8-15)22(20,21)14-13(12(18)19)5-3-2-4-6-13/h14H,2-10H2,1H3,(H,18,19)
InChIKeyUTZGAVHCJQETHC-UHFFFAOYSA-N
XLogP-0.23
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-acetylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-acetylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 11515500) is 1-[(4-acetylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-acetylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-acetylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid is CC(=O)N1CCN(S(=O)(=O)NC2(C(=O)O)CCCCC2)CC1.
What is the InChIKey of 1-[(4-acetylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is UTZGAVHCJQETHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5S/c1-11(17)15-7-9-16(10-8-15)22(20,21)14-13(12(18)19)5-3-2-4-6-13/h14H,2-10H2,1H3,(H,18,19).
What are the key properties of 1-[(4-acetylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
1-[(4-acetylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 333.41 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-acetylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 11515500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).