(2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid

C13H17NO4S — CID 66264410

IUPAC(2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid
SMILESCSCc1ccc(C(=O)N2CCCC[C@H]2C(=O)O)o1
InChIInChI=1S/C13H17NO4S/c1-19-8-9-5-6-11(18-9)12(15)14-7-3-2-4-10(14)13(16)17/h5-6,10H,2-4,7-8H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyFKPRWWGMZMZLAV-JTQLQIEISA-N
MW283.35 g/mol
LogP2.22
Rot. Bonds4

About (2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid

(2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid (PubChem CID 66264410) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is (2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid
PubChem CID66264410
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name(2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid
SMILESCSCc1ccc(C(=O)N2CCCC[C@H]2C(=O)O)o1
InChIInChI=1S/C13H17NO4S/c1-19-8-9-5-6-11(18-9)12(15)14-7-3-2-4-10(14)13(16)17/h5-6,10H,2-4,7-8H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyFKPRWWGMZMZLAV-JTQLQIEISA-N
XLogP2.22
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355659
[5-(methylsulfanylmethyl)furan-2-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 70750958
1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 43355781
(2R)-1-[4-(methylsulfanylmethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 78922083
[2-(furan-2-yl)azepan-1-yl]-[5-(methylsulfanylmethyl)furan-2-yl]methanone
CID 70706464
1-(5-bromofuran-2-carbonyl)azocane-2-carboxylic acid
CID 114239693
1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidine-2-carboxylic acid
CID 91644849
(2S)-1-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]piperidine-2-carboxylic acid
CID 124702289
1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-2-carboxylic acid
CID 119175911
1-[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356795
cis-(1R,3S)-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 114173157
(3R,4R)-4-cyclopropyl-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 133124686

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid (CID 66264410) is (2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid is CSCc1ccc(C(=O)N2CCCC[C@H]2C(=O)O)o1.
What is the InChIKey of (2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is FKPRWWGMZMZLAV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17NO4S/c1-19-8-9-5-6-11(18-9)12(15)14-7-3-2-4-10(14)13(16)17/h5-6,10H,2-4,7-8H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid?
(2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 66264410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).