5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid

C11H21N3O5S — CID 60949864

IUPAC5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid
SMILESNS(=O)(=O)NCC1CCCN(C(=O)CCCC(=O)O)C1
InChIInChI=1S/C11H21N3O5S/c12-20(18,19)13-7-9-3-2-6-14(8-9)10(15)4-1-5-11(16)17/h9,13H,1-8H2,(H,16,17)(H2,12,18,19)
InChIKeyMSAZGIZKNDEJFS-UHFFFAOYSA-N
MW307.37 g/mol
LogP-0.73
Rot. Bonds7

About 5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid

5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid (PubChem CID 60949864) has the molecular formula C11H21N3O5S and a molecular weight of 307.37 g/mol. Its IUPAC name is 5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid
PubChem CID60949864
Molecular FormulaC11H21N3O5S
Molecular Weight307.37 g/mol
Exact Mass307.12
IUPAC Name5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid
SMILESNS(=O)(=O)NCC1CCCN(C(=O)CCCC(=O)O)C1
InChIInChI=1S/C11H21N3O5S/c12-20(18,19)13-7-9-3-2-6-14(8-9)10(15)4-1-5-11(16)17/h9,13H,1-8H2,(H,16,17)(H2,12,18,19)
InChIKeyMSAZGIZKNDEJFS-UHFFFAOYSA-N
XLogP-0.73
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine
CID 115642411
1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine
CID 54873297
1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 113244692
1-(3-ethoxypropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 55091158
1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 112692537
5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 43590262
1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 81086812
2-amino-N-[2-oxo-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]ethyl]acetamide
CID 60963858
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
1-[2-(cyclohexen-1-yl)acetyl]-3-[(sulfamoylamino)methyl]piperidine
CID 63562908
1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine
CID 107992574
1-(3-amino-2,2-dimethylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 115426454

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid?
The IUPAC name of 5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid (CID 60949864) is 5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid?
The canonical SMILES for 5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid is NS(=O)(=O)NCC1CCCN(C(=O)CCCC(=O)O)C1.
What is the InChIKey of 5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid?
The InChIKey is MSAZGIZKNDEJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5S/c12-20(18,19)13-7-9-3-2-6-14(8-9)10(15)4-1-5-11(16)17/h9,13H,1-8H2,(H,16,17)(H2,12,18,19).
What are the key properties of 5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid?
5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid has a molecular weight of 307.37 g/mol, XLogP of -0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid is sourced from PubChem (CID 60949864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).