methyl 1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate

C11H19NO3S — CID 43404787

IUPACmethyl 1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCSC)CC1
InChIInChI=1S/C11H19NO3S/c1-15-11(14)9-3-6-12(7-4-9)10(13)5-8-16-2/h9H,3-8H2,1-2H3
InChIKeyWWIUYTIEVLBWNB-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.15
Rot. Bonds4

About methyl 1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate

methyl 1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate (PubChem CID 43404787) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is methyl 1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate
PubChem CID43404787
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Namemethyl 1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCSC)CC1
InChIInChI=1S/C11H19NO3S/c1-15-11(14)9-3-6-12(7-4-9)10(13)5-8-16-2/h9H,3-8H2,1-2H3
InChIKeyWWIUYTIEVLBWNB-UHFFFAOYSA-N
XLogP1.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid
CID 155289204
Ethyl 1-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxylate
CID 2418894
Methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 777600
Ethyl 1-(2-cyclohexylsulfanylacetyl)piperidine-4-carboxylate
CID 2414708
Methyl 1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxylate
CID 116617415
Methyl 1-(2-methylbutanoyl)piperidine-4-carboxylate
CID 3959059
Methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
1-Ethoxycarbonyl-4-ethoxycarbonyl-mercapto-piperidine
CID 20216974
Methyl 1-(2-methylpropanoyl)piperidine-4-carboxylate
CID 43409065
Methyl 4-(3-methylsulfanylpropylcarbamoyl)piperidine-1-carboxylate
CID 57939462
Dimethyl 4-(acetylsulfanylmethyl)piperidine-1,4-dicarboxylate
CID 60051116
O1-tert-Butyl O4-ethyl 4-methylsulfanylpiperidine-1,4-dicarboxylate
CID 66977220

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate (CID 43404787) is methyl 1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CCSC)CC1.
What is the InChIKey of methyl 1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate?
The InChIKey is WWIUYTIEVLBWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-15-11(14)9-3-6-12(7-4-9)10(13)5-8-16-2/h9H,3-8H2,1-2H3.
What are the key properties of methyl 1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate?
methyl 1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate has a molecular weight of 245.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 43404787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).