5-methylsulfanyl-2-piperidin-1-ylpentanoic acid

C11H21NO2S — CID 103090125

IUPAC5-methylsulfanyl-2-piperidin-1-ylpentanoic acid
SMILESCSCCCC(C(=O)O)N1CCCCC1
InChIInChI=1S/C11H21NO2S/c1-15-9-5-6-10(11(13)14)12-7-3-2-4-8-12/h10H,2-9H2,1H3,(H,13,14)
InChIKeyGIXUFJIFZXYMLJ-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.07
Rot. Bonds6

About 5-methylsulfanyl-2-piperidin-1-ylpentanoic acid

5-methylsulfanyl-2-piperidin-1-ylpentanoic acid (PubChem CID 103090125) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 5-methylsulfanyl-2-piperidin-1-ylpentanoic acid.

Molecular Properties

Compound Name5-methylsulfanyl-2-piperidin-1-ylpentanoic acid
PubChem CID103090125
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name5-methylsulfanyl-2-piperidin-1-ylpentanoic acid
SMILESCSCCCC(C(=O)O)N1CCCCC1
InChIInChI=1S/C11H21NO2S/c1-15-9-5-6-10(11(13)14)12-7-3-2-4-8-12/h10H,2-9H2,1H3,(H,13,14)
InChIKeyGIXUFJIFZXYMLJ-UHFFFAOYSA-N
XLogP2.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-1-ylheptanoic acid
CID 43803843
2-(azepan-1-yl)pentanoic acid
CID 43866463
2-(azocan-1-yl)butanoic acid
CID 43808973
2-[4-(1-carboxybutyl)-7-(1-carboxy-3-methylsulfanylpropyl)-10-(1-carboxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid
CID 171085146
2-[4,7-bis(1-carboxy-3-hydroxypropyl)-1,4,7-triazacycloundec-1-yl]-4-hydroxybutanoic acid
CID 140600194
4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide
CID 70074809
2-[4-(1-carboxy-3-hydroxypropyl)-1,4-diazepan-1-yl]-4-hydroxybutanoic acid
CID 10904172
(2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid
CID 23631709
2-pyrrolidin-1-ylhex-4-ynoic acid
CID 142014835
(2S)-4-methylsulfanyl-2-(4-sulfanylidene-1,3,5-triazinan-1-yl)butanoic acid
CID 7020576
5-methylsulfanyl-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid
CID 178094289
2-morpholin-4-yldecanoic acid
CID 57259608

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-2-piperidin-1-ylpentanoic acid?
The IUPAC name of 5-methylsulfanyl-2-piperidin-1-ylpentanoic acid (CID 103090125) is 5-methylsulfanyl-2-piperidin-1-ylpentanoic acid.
What is the SMILES notation for 5-methylsulfanyl-2-piperidin-1-ylpentanoic acid?
The canonical SMILES for 5-methylsulfanyl-2-piperidin-1-ylpentanoic acid is CSCCCC(C(=O)O)N1CCCCC1.
What is the InChIKey of 5-methylsulfanyl-2-piperidin-1-ylpentanoic acid?
The InChIKey is GIXUFJIFZXYMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-15-9-5-6-10(11(13)14)12-7-3-2-4-8-12/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 5-methylsulfanyl-2-piperidin-1-ylpentanoic acid?
5-methylsulfanyl-2-piperidin-1-ylpentanoic acid has a molecular weight of 231.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-2-piperidin-1-ylpentanoic acid is sourced from PubChem (CID 103090125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).