1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-4-carboxylic acid

C10H17NO6S — CID 60675446

IUPAC1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-4-carboxylic acid
SMILESCOC(=O)CCS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H17NO6S/c1-17-9(12)4-7-18(15,16)11-5-2-8(3-6-11)10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyYIKVQOPHCZCMCI-UHFFFAOYSA-N
MW279.31 g/mol
LogP-0.32
Rot. Bonds5

About 1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-4-carboxylic acid

1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-4-carboxylic acid (PubChem CID 60675446) has the molecular formula C10H17NO6S and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-4-carboxylic acid
PubChem CID60675446
Molecular FormulaC10H17NO6S
Molecular Weight279.31 g/mol
Exact Mass279.08
IUPAC Name1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-4-carboxylic acid
SMILESCOC(=O)CCS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H17NO6S/c1-17-9(12)4-7-18(15,16)11-5-2-8(3-6-11)10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyYIKVQOPHCZCMCI-UHFFFAOYSA-N
XLogP-0.32
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Ethanesulfonyl)piperidine-4-carboxylic acid
CID 4962812
1-Methanesulfonylpiperidine-4-carboxylic acid
CID 774012
Methyl 1-(methylsulfonyl)-4-piperidinecarboxylate
CID 2763709
1-(Cyclopropylsulfonyl)piperidine-4-carboxylic acid
CID 25000516
Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
CID 669104
1-(Propane-1-sulfonyl)piperidine-4-carboxylic acid
CID 4047204
1-(Butane-1-sulfonyl)piperidine-4-carboxylic acid
CID 16228565
Methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate
CID 56828082
1-(2-Sulfamoylethyl)piperidine-4-carboxylic acid hydrochloride
CID 75422240
1-[(3,5-Dimethylcyclohexyl)sulfonyl]piperidine-4-carboxylic acid
CID 3411977
2,2-Dimethylpropyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 72023293
4-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid
CID 65533660

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-4-carboxylic acid (CID 60675446) is 1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-4-carboxylic acid is COC(=O)CCS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-4-carboxylic acid?
The InChIKey is YIKVQOPHCZCMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO6S/c1-17-9(12)4-7-18(15,16)11-5-2-8(3-6-11)10(13)14/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-4-carboxylic acid?
1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-4-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 60675446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).