1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid

C13H19NO4S2 — CID 43238264

IUPAC1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1cc(S(=O)(=O)NC2(C(=O)O)CCCCC2)c(C)s1
InChIInChI=1S/C13H19NO4S2/c1-9-8-11(10(2)19-9)20(17,18)14-13(12(15)16)6-4-3-5-7-13/h8,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyDXAKJDMGIHCSPK-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.43
Rot. Bonds4

About 1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid

1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 43238264) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID43238264
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC Name1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1cc(S(=O)(=O)NC2(C(=O)O)CCCCC2)c(C)s1
InChIInChI=1S/C13H19NO4S2/c1-9-8-11(10(2)19-9)20(17,18)14-13(12(15)16)6-4-3-5-7-13/h8,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyDXAKJDMGIHCSPK-UHFFFAOYSA-N
XLogP2.43
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 43238264) is 1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid is Cc1cc(S(=O)(=O)NC2(C(=O)O)CCCCC2)c(C)s1.
What is the InChIKey of 1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is DXAKJDMGIHCSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S2/c1-9-8-11(10(2)19-9)20(17,18)14-13(12(15)16)6-4-3-5-7-13/h8,14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 317.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43238264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).