2-[1-[methyl-(2-propan-2-ylsulfanylacetyl)amino]cyclohexyl]acetic acid

C14H25NO3S — CID 65238287

IUPAC2-[1-[methyl-(2-propan-2-ylsulfanylacetyl)amino]cyclohexyl]acetic acid
SMILESCC(C)SCC(=O)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H25NO3S/c1-11(2)19-10-12(16)15(3)14(9-13(17)18)7-5-4-6-8-14/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyWGNBBNSAZSZHTR-UHFFFAOYSA-N
MW287.42 g/mol
LogP2.76
Rot. Bonds6

About 2-[1-[methyl-(2-propan-2-ylsulfanylacetyl)amino]cyclohexyl]acetic acid

2-[1-[methyl-(2-propan-2-ylsulfanylacetyl)amino]cyclohexyl]acetic acid (PubChem CID 65238287) has the molecular formula C14H25NO3S and a molecular weight of 287.42 g/mol. Its IUPAC name is 2-[1-[methyl-(2-propan-2-ylsulfanylacetyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-(2-propan-2-ylsulfanylacetyl)amino]cyclohexyl]acetic acid
PubChem CID65238287
Molecular FormulaC14H25NO3S
Molecular Weight287.42 g/mol
Exact Mass287.16
IUPAC Name2-[1-[methyl-(2-propan-2-ylsulfanylacetyl)amino]cyclohexyl]acetic acid
SMILESCC(C)SCC(=O)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H25NO3S/c1-11(2)19-10-12(16)15(3)14(9-13(17)18)7-5-4-6-8-14/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyWGNBBNSAZSZHTR-UHFFFAOYSA-N
XLogP2.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-(2-propan-2-ylsulfanylacetyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl-(2-propan-2-ylsulfanylacetyl)amino]cyclohexyl]acetic acid (CID 65238287) is 2-[1-[methyl-(2-propan-2-ylsulfanylacetyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-(2-propan-2-ylsulfanylacetyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl-(2-propan-2-ylsulfanylacetyl)amino]cyclohexyl]acetic acid is CC(C)SCC(=O)N(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl-(2-propan-2-ylsulfanylacetyl)amino]cyclohexyl]acetic acid?
The InChIKey is WGNBBNSAZSZHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-11(2)19-10-12(16)15(3)14(9-13(17)18)7-5-4-6-8-14/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-[methyl-(2-propan-2-ylsulfanylacetyl)amino]cyclohexyl]acetic acid?
2-[1-[methyl-(2-propan-2-ylsulfanylacetyl)amino]cyclohexyl]acetic acid has a molecular weight of 287.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-(2-propan-2-ylsulfanylacetyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65238287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).