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

C13H24N2O4S — CID 28546597

IUPAC1-[(4-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCC1CCN(S(=O)(=O)NC2(C(=O)O)CCCCC2)CC1
InChIInChI=1S/C13H24N2O4S/c1-11-5-9-15(10-6-11)20(18,19)14-13(12(16)17)7-3-2-4-8-13/h11,14H,2-10H2,1H3,(H,16,17)
InChIKeySMMKXNLBBWDROS-UHFFFAOYSA-N
MW304.41 g/mol
LogP1.34
Rot. Bonds4

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

1-[(4-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 28546597) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-[(4-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID28546597
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name1-[(4-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCC1CCN(S(=O)(=O)NC2(C(=O)O)CCCCC2)CC1
InChIInChI=1S/C13H24N2O4S/c1-11-5-9-15(10-6-11)20(18,19)14-13(12(16)17)7-3-2-4-8-13/h11,14H,2-10H2,1H3,(H,16,17)
InChIKeySMMKXNLBBWDROS-UHFFFAOYSA-N
XLogP1.34
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 28546597) is 1-[(4-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid is CC1CCN(S(=O)(=O)NC2(C(=O)O)CCCCC2)CC1.
What is the InChIKey of 1-[(4-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is SMMKXNLBBWDROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-11-5-9-15(10-6-11)20(18,19)14-13(12(16)17)7-3-2-4-8-13/h11,14H,2-10H2,1H3,(H,16,17).
What are the key properties of 1-[(4-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
1-[(4-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 304.41 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 28546597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).