2-[1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexyl]acetic acid

C15H20N2O3S — CID 64671968

IUPAC2-[1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CSc2ccncc2)CCCCC1
InChIInChI=1S/C15H20N2O3S/c18-13(11-21-12-4-8-16-9-5-12)17-15(10-14(19)20)6-2-1-3-7-15/h4-5,8-9H,1-3,6-7,10-11H2,(H,17,18)(H,19,20)
InChIKeyGTZCDGDVVCELOC-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.47
Rot. Bonds6

About 2-[1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexyl]acetic acid

2-[1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexyl]acetic acid (PubChem CID 64671968) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexyl]acetic acid
PubChem CID64671968
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-[1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CSc2ccncc2)CCCCC1
InChIInChI=1S/C15H20N2O3S/c18-13(11-21-12-4-8-16-9-5-12)17-15(10-14(19)20)6-2-1-3-7-15/h4-5,8-9H,1-3,6-7,10-11H2,(H,17,18)(H,19,20)
InChIKeyGTZCDGDVVCELOC-UHFFFAOYSA-N
XLogP2.47
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid
CID 64672336
2-[1-[(2-pyridin-4-ylacetyl)amino]cyclopentyl]acetic acid
CID 64672788
2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid
CID 64672590
2-[1-[(2-methylsulfanylacetyl)amino]cyclohexyl]acetic acid
CID 64671362
4-[(2-pyridin-4-ylsulfanylacetyl)amino]oxane-4-carboxylic acid
CID 115291568
2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid
CID 64701158
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
CID 43354856
2-[1-[[2-(cyanomethylsulfanyl)acetyl]amino]cyclohexyl]acetic acid
CID 64672525
2-[1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]acetic acid
CID 64670572
2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64700742
2-[1-[4-(4-bromophenyl)sulfanylbutanoylamino]cyclobutyl]acetic acid
CID 119217217

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexyl]acetic acid (CID 64671968) is 2-[1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)CSc2ccncc2)CCCCC1.
What is the InChIKey of 2-[1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexyl]acetic acid?
The InChIKey is GTZCDGDVVCELOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-13(11-21-12-4-8-16-9-5-12)17-15(10-14(19)20)6-2-1-3-7-15/h4-5,8-9H,1-3,6-7,10-11H2,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexyl]acetic acid?
2-[1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexyl]acetic acid has a molecular weight of 308.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64671968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).