2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexyl]acetic acid

C12H18N2O4S2 — CID 103414274

IUPAC2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexyl]acetic acid
SMILESCc1ncc(S(=O)(=O)NC2(CC(=O)O)CCCCC2)s1
InChIInChI=1S/C12H18N2O4S2/c1-9-13-8-11(19-9)20(17,18)14-12(7-10(15)16)5-3-2-4-6-12/h8,14H,2-7H2,1H3,(H,15,16)
InChIKeyBONIEUJXCATREW-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.91
Rot. Bonds5

About 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexyl]acetic acid

2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexyl]acetic acid (PubChem CID 103414274) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexyl]acetic acid
PubChem CID103414274
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC Name2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexyl]acetic acid
SMILESCc1ncc(S(=O)(=O)NC2(CC(=O)O)CCCCC2)s1
InChIInChI=1S/C12H18N2O4S2/c1-9-13-8-11(19-9)20(17,18)14-12(7-10(15)16)5-3-2-4-6-12/h8,14H,2-7H2,1H3,(H,15,16)
InChIKeyBONIEUJXCATREW-UHFFFAOYSA-N
XLogP1.91
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexyl]acetic acid (CID 103414274) is 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexyl]acetic acid is Cc1ncc(S(=O)(=O)NC2(CC(=O)O)CCCCC2)s1.
What is the InChIKey of 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexyl]acetic acid?
The InChIKey is BONIEUJXCATREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-9-13-8-11(19-9)20(17,18)14-12(7-10(15)16)5-3-2-4-6-12/h8,14H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexyl]acetic acid?
2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexyl]acetic acid has a molecular weight of 318.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 103414274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).