4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylic acid

C10H15N3O2S — CID 91439730

IUPAC4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CSc2ncc[nH]2)CC1
InChIInChI=1S/C10H15N3O2S/c14-10(15)13-5-1-8(2-6-13)7-16-9-11-3-4-12-9/h3-4,8H,1-2,5-7H2,(H,11,12)(H,14,15)
InChIKeyDIPCWPUHNPXXLE-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.89
Rot. Bonds3

About 4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylic acid

4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylic acid (PubChem CID 91439730) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylic acid
PubChem CID91439730
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CSc2ncc[nH]2)CC1
InChIInChI=1S/C10H15N3O2S/c14-10(15)13-5-1-8(2-6-13)7-16-9-11-3-4-12-9/h3-4,8H,1-2,5-7H2,(H,11,12)(H,14,15)
InChIKeyDIPCWPUHNPXXLE-UHFFFAOYSA-N
XLogP1.89
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-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

4-[(2-chloro-3-pyridinyl)sulfanylmethyl]piperidine-1-carboxylic acid
CID 122424400
2-(1H-imidazol-2-ylsulfanylmethyl)prop-2-enoic acid
CID 107778961
2-(oxiran-2-ylmethylsulfanyl)-1H-imidazole
CID 107780486
[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 96568451
4-(3-pyridin-4-yloxypropyl)piperidine-1-carboxylic acid
CID 154254683
potassium 1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 177042227
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole
CID 107781577
[5-[[4-[(2-methylpiperidin-1-yl)methyl]benzoyl]amino]-2-pyridinyl] 4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylate
CID 11478380
N-(cyclopropylmethyl)-2-(1H-imidazol-2-ylsulfanyl)ethanamine
CID 107782466
2-(1H-imidazol-2-ylsulfanylmethyl)piperidine
CID 84667853
4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid
CID 66803087
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylic acid (CID 91439730) is 4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(CSc2ncc[nH]2)CC1.
What is the InChIKey of 4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylic acid?
The InChIKey is DIPCWPUHNPXXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c14-10(15)13-5-1-8(2-6-13)7-16-9-11-3-4-12-9/h3-4,8H,1-2,5-7H2,(H,11,12)(H,14,15).
What are the key properties of 4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylic acid?
4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 91439730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).