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

C12H23N3O4S — CID 11573082

IUPAC1-[(4-methylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCN1CCN(S(=O)(=O)NC2(C(=O)O)CCCCC2)CC1
InChIInChI=1S/C12H23N3O4S/c1-14-7-9-15(10-8-14)20(18,19)13-12(11(16)17)5-3-2-4-6-12/h13H,2-10H2,1H3,(H,16,17)
InChIKeyAFLNZGPJPBRFEJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.14
Rot. Bonds4

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

1-[(4-methylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 11573082) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[(4-methylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID11573082
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name1-[(4-methylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCN1CCN(S(=O)(=O)NC2(C(=O)O)CCCCC2)CC1
InChIInChI=1S/C12H23N3O4S/c1-14-7-9-15(10-8-14)20(18,19)13-12(11(16)17)5-3-2-4-6-12/h13H,2-10H2,1H3,(H,16,17)
InChIKeyAFLNZGPJPBRFEJ-UHFFFAOYSA-N
XLogP-0.14
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Piperazin-1-yl)cyclohexane-1-carboxylic acid
CID 61002009
1-[(4-Acetylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 11515500
1-(Piperazin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 11572874
1-(Morpholin-4-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 11587388
2-Cyclohexyl-2-(sulfonylamino)propanoic acid;1-methylpiperazine
CID 19008638
1-[[4-(3-Methyloxiran-2-yl)piperazin-1-yl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 147381803
1-(Azepan-1-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 28527197
1-[(4-Methylpiperidin-1-yl)sulfonylazaniumyl]cyclohexane-1-carboxylate
CID 28546596
1-[(4-Methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 28546597
1-(Pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 28784444
1-(Piperidin-1-ylsulfonylazaniumyl)cyclohexane-1-carboxylate
CID 28784446
1-(Piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 28784447

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-methylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 11573082) is 1-[(4-methylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid is CN1CCN(S(=O)(=O)NC2(C(=O)O)CCCCC2)CC1.
What is the InChIKey of 1-[(4-methylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is AFLNZGPJPBRFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-14-7-9-15(10-8-14)20(18,19)13-12(11(16)17)5-3-2-4-6-12/h13H,2-10H2,1H3,(H,16,17).
What are the key properties of 1-[(4-methylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
1-[(4-methylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 305.40 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 11573082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).