1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine

C11H23N3O4S — CID 112692537

IUPAC1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCC(C)OCC(=O)N1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C11H23N3O4S/c1-9(2)18-8-11(15)14-5-3-4-10(7-14)6-13-19(12,16)17/h9-10,13H,3-8H2,1-2H3,(H2,12,16,17)
InChIKeyZDWLOJJARNSEOG-UHFFFAOYSA-N
MW293.39 g/mol
LogP-0.56
Rot. Bonds6

About 1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine

1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 112692537) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine
PubChem CID112692537
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Name1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCC(C)OCC(=O)N1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C11H23N3O4S/c1-9(2)18-8-11(15)14-5-3-4-10(7-14)6-13-19(12,16)17/h9-10,13H,3-8H2,1-2H3,(H2,12,16,17)
InChIKeyZDWLOJJARNSEOG-UHFFFAOYSA-N
XLogP-0.56
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701233
1-(3-ethoxypropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 55091158
1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 113244692
1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 81086812
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine
CID 115642411
1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine
CID 54873297
5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid
CID 60949864
2-amino-N-[2-oxo-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]ethyl]acetamide
CID 60963858
1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62727034
1-(3-amino-2,2-dimethylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 115426454
N-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60776412

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine (CID 112692537) is 1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine is CC(C)OCC(=O)N1CCCC(CNS(N)(=O)=O)C1.
What is the InChIKey of 1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is ZDWLOJJARNSEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-9(2)18-8-11(15)14-5-3-4-10(7-14)6-13-19(12,16)17/h9-10,13H,3-8H2,1-2H3,(H2,12,16,17).
What are the key properties of 1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine?
1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 293.39 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 112692537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).