methyl 1-methylsulfinylpiperidine-3-carboxylate

C8H15NO3S — CID 130762657

IUPACmethyl 1-methylsulfinylpiperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(S(C)=O)C1
InChIInChI=1S/C8H15NO3S/c1-12-8(10)7-4-3-5-9(6-7)13(2)11/h7H,3-6H2,1-2H3
InChIKeyWYSJPCSIGYCMSS-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.16
Rot. Bonds2

About methyl 1-methylsulfinylpiperidine-3-carboxylate

methyl 1-methylsulfinylpiperidine-3-carboxylate (PubChem CID 130762657) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is methyl 1-methylsulfinylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methylsulfinylpiperidine-3-carboxylate
PubChem CID130762657
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Namemethyl 1-methylsulfinylpiperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(S(C)=O)C1
InChIInChI=1S/C8H15NO3S/c1-12-8(10)7-4-3-5-9(6-7)13(2)11/h7H,3-6H2,1-2H3
InChIKeyWYSJPCSIGYCMSS-UHFFFAOYSA-N
XLogP0.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456
methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 79037827
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
methyl (3S)-1-piperidin-1-ylsulfonylpiperidine-3-carboxylate
CID 79033124
methyl (3S)-1-cyclohex-2-en-1-ylpiperidine-3-carboxylate
CID 103714081
methyl (3S)-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperidine-3-carboxylate
CID 103310501
methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate
CID 103430283
methyl 1-piperidin-4-ylpiperidine-3-carboxylate
CID 44607682
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673

Frequently Asked Questions

What is the IUPAC name of methyl 1-methylsulfinylpiperidine-3-carboxylate?
The IUPAC name of methyl 1-methylsulfinylpiperidine-3-carboxylate (CID 130762657) is methyl 1-methylsulfinylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 1-methylsulfinylpiperidine-3-carboxylate?
The canonical SMILES for methyl 1-methylsulfinylpiperidine-3-carboxylate is COC(=O)C1CCCN(S(C)=O)C1.
What is the InChIKey of methyl 1-methylsulfinylpiperidine-3-carboxylate?
The InChIKey is WYSJPCSIGYCMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-12-8(10)7-4-3-5-9(6-7)13(2)11/h7H,3-6H2,1-2H3.
What are the key properties of methyl 1-methylsulfinylpiperidine-3-carboxylate?
methyl 1-methylsulfinylpiperidine-3-carboxylate has a molecular weight of 205.28 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methylsulfinylpiperidine-3-carboxylate is sourced from PubChem (CID 130762657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).