1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid

C14H26N2O4S — CID 103494329

IUPAC1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCC(C)C1CCN(S(=O)(=O)N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H26N2O4S/c1-11(2)12-5-8-15(9-6-12)21(19,20)16-7-3-4-13(10-16)14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyLKVYKNWYLWBGGT-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.40
Rot. Bonds4

About 1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid

1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 103494329) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
PubChem CID103494329
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCC(C)C1CCN(S(=O)(=O)N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H26N2O4S/c1-11(2)12-5-8-15(9-6-12)21(19,20)16-7-3-4-13(10-16)14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyLKVYKNWYLWBGGT-UHFFFAOYSA-N
XLogP1.40
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 62936890
1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 60858591
(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
CID 129410180
1-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 106668312
1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 60857580
1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 61403844
1-(1,4-thiazepan-4-ylsulfonyl)piperidine-3-carboxylic acid
CID 61419208
1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)piperidine-3-carboxylic acid
CID 66392901
1-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]ethanone
CID 63846938
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 114797288
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidine-3-carboxylic acid
CID 60950372

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid (CID 103494329) is 1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid is CC(C)C1CCN(S(=O)(=O)N2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is LKVYKNWYLWBGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-11(2)12-5-8-15(9-6-12)21(19,20)16-7-3-4-13(10-16)14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid?
1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 318.44 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 103494329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).