1-(3-fluoropropylsulfonyl)-6-methylpiperidine-3-carboxylic acid

C10H18FNO4S — CID 122104299

IUPAC1-(3-fluoropropylsulfonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1S(=O)(=O)CCCF
InChIInChI=1S/C10H18FNO4S/c1-8-3-4-9(10(13)14)7-12(8)17(15,16)6-2-5-11/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyJBLWRVVMGABQEP-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.86
Rot. Bonds5

About 1-(3-fluoropropylsulfonyl)-6-methylpiperidine-3-carboxylic acid

1-(3-fluoropropylsulfonyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122104299) has the molecular formula C10H18FNO4S and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-(3-fluoropropylsulfonyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoropropylsulfonyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122104299
Molecular FormulaC10H18FNO4S
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Name1-(3-fluoropropylsulfonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1S(=O)(=O)CCCF
InChIInChI=1S/C10H18FNO4S/c1-8-3-4-9(10(13)14)7-12(8)17(15,16)6-2-5-11/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyJBLWRVVMGABQEP-UHFFFAOYSA-N
XLogP0.86
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylbutylsulfonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083362
1-but-3-enylsulfonyl-6-methylpiperidine-3-carboxylic acid
CID 122104288
1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide
CID 54988855
1-(2-ethylbutylsulfonyl)-6-methylpiperidine-3-carboxylic acid
CID 122104291
1-[(3,4-dichlorophenyl)methylsulfonyl]-6-methylpiperidine-3-carboxylic acid
CID 122104201
6-methyl-1-(2-methyloxolan-3-yl)sulfonylpiperidine-3-carboxylic acid
CID 122104491
6-methyl-1-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperidine-3-carboxylic acid
CID 122104620
1-[(3-methoxyphenyl)methylsulfonyl]-6-methylpiperidine-3-carboxylic acid
CID 122104208
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]-6-methylpiperidine-3-carboxylic acid
CID 122104498
6-methyl-1-(4-propylsulfonylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 122104625
6-methyl-1-(2-methyloxan-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 122104610
4-(2-methylpiperidin-1-yl)sulfonylbutanoic acid
CID 43209512

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropylsulfonyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-fluoropropylsulfonyl)-6-methylpiperidine-3-carboxylic acid (CID 122104299) is 1-(3-fluoropropylsulfonyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-fluoropropylsulfonyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-fluoropropylsulfonyl)-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1S(=O)(=O)CCCF.
What is the InChIKey of 1-(3-fluoropropylsulfonyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is JBLWRVVMGABQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO4S/c1-8-3-4-9(10(13)14)7-12(8)17(15,16)6-2-5-11/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of 1-(3-fluoropropylsulfonyl)-6-methylpiperidine-3-carboxylic acid?
1-(3-fluoropropylsulfonyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropylsulfonyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122104299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).