2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetic acid

C10H17NO3S — CID 864328

IUPAC2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)NC1CCCCC1
InChIInChI=1S/C10H17NO3S/c12-9(6-15-7-10(13)14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)(H,13,14)
InChIKeyVNXANEFRFTUZHS-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.25
Rot. Bonds5

About 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetic acid

2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetic acid (PubChem CID 864328) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetic acid
PubChem CID864328
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)NC1CCCCC1
InChIInChI=1S/C10H17NO3S/c12-9(6-15-7-10(13)14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)(H,13,14)
InChIKeyVNXANEFRFTUZHS-UHFFFAOYSA-N
XLogP1.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetic acid (CID 864328) is 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetic acid is O=C(O)CSCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetic acid?
The InChIKey is VNXANEFRFTUZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c12-9(6-15-7-10(13)14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetic acid?
2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetic acid has a molecular weight of 231.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 864328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).