4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid

C10H19NO2S — CID 66803087

IUPAC4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid
SMILESCC(C)SCC1CCN(C(=O)O)CC1
InChIInChI=1S/C10H19NO2S/c1-8(2)14-7-9-3-5-11(6-4-9)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyNUGSOSXYHMOZBK-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.52
Rot. Bonds3

About 4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid

4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid (PubChem CID 66803087) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid
PubChem CID66803087
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid
SMILESCC(C)SCC1CCN(C(=O)O)CC1
InChIInChI=1S/C10H19NO2S/c1-8(2)14-7-9-3-5-11(6-4-9)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyNUGSOSXYHMOZBK-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride
CID 137373042
4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid
CID 154017812
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936
4-(2-acetylsulfanylethyl)piperidine-1-carboxylic acid
CID 87917137
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946
4-(1-bromoethyl)piperidine-1-carboxylic acid
CID 22936412
4-[(2S)-2,3-dihydroxypropyl]piperidine-1-carboxylic acid
CID 156506776
4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid
CID 137373252
4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid
CID 68759598
4-(3-acetylsulfanylpropyl)piperidine-1-carboxylic acid
CID 154017798
3-(2-acetyl-3-oxobutyl)pyrrolidine-1-carboxylic acid
CID 172776765
4-[methyl(propan-2-yl)amino]piperidine-1-carboxylic acid
CID 22047993

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid (CID 66803087) is 4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid is CC(C)SCC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid?
The InChIKey is NUGSOSXYHMOZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8(2)14-7-9-3-5-11(6-4-9)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid?
4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid has a molecular weight of 217.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 66803087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).