1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid

C10H17NO3S — CID 43183413

IUPAC1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid
SMILESCSCCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C10H17NO3S/c1-15-6-4-9(12)11-5-2-3-8(7-11)10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyRZNGQQSRLADJTH-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.06
Rot. Bonds4

About 1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid

1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid (PubChem CID 43183413) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid
PubChem CID43183413
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid
SMILESCSCCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C10H17NO3S/c1-15-6-4-9(12)11-5-2-3-8(7-11)10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyRZNGQQSRLADJTH-UHFFFAOYSA-N
XLogP1.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
(3R)-1-hexanoylpiperidine-3-carboxylic acid
CID 28880755
1-(4-carboxybutanoyl)piperidine-3-carboxylic acid
CID 54794401
3-methylsulfanyl-1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one
CID 42309527
1-[(2R)-2-amino-4-methylsulfanylbutanoyl]piperidine-3-carboxylic acid
CID 104907990
(3S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]piperidine-3-carboxylic acid
CID 81125404
1-(4-ethoxy-4-oxobutanoyl)piperidine-3-carboxylic acid
CID 43355863
(3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid
CID 81125297
(3S)-1-(2-propan-2-ylsulfanylacetyl)piperidine-3-carboxylic acid
CID 81126040
1-[2-(3-methylbutylsulfanyl)acetyl]piperidine-3-carboxylic acid
CID 119167488
1-(5-methoxypentanoyl)piperidine-3-carboxylic acid
CID 119167281
(3S)-1-[3-(4-bromophenyl)sulfanylpropanoyl]piperidine-3-carboxylic acid
CID 119174244

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid (CID 43183413) is 1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid is CSCCC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid?
The InChIKey is RZNGQQSRLADJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-15-6-4-9(12)11-5-2-3-8(7-11)10(13)14/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid?
1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid has a molecular weight of 231.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43183413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).