1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine

C12H23N3O3S — CID 113244692

IUPAC1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESNS(=O)(=O)NCC1CCCN(C(=O)CC2CCC2)C1
InChIInChI=1S/C12H23N3O3S/c13-19(17,18)14-8-11-5-2-6-15(9-11)12(16)7-10-3-1-4-10/h10-11,14H,1-9H2,(H2,13,17,18)
InChIKeyHVUDHARLWRMZOM-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.21
Rot. Bonds5

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

1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 113244692) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
PubChem CID113244692
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESNS(=O)(=O)NCC1CCCN(C(=O)CC2CCC2)C1
InChIInChI=1S/C12H23N3O3S/c13-19(17,18)14-8-11-5-2-6-15(9-11)12(16)7-10-3-1-4-10/h10-11,14H,1-9H2,(H2,13,17,18)
InChIKeyHVUDHARLWRMZOM-UHFFFAOYSA-N
XLogP0.21
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 81086812
1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 112692537
1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine
CID 54873297
1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine
CID 115642411
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
1-(3-ethoxypropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 55091158
1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine
CID 107992574
1-(3-amino-2,2-dimethylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 115426454
N-[[1-[2-(azetidin-3-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 64609955
2-cyclopentyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241290

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine (CID 113244692) is 1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine is NS(=O)(=O)NCC1CCCN(C(=O)CC2CCC2)C1.
What is the InChIKey of 1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is HVUDHARLWRMZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c13-19(17,18)14-8-11-5-2-6-15(9-11)12(16)7-10-3-1-4-10/h10-11,14H,1-9H2,(H2,13,17,18).
What are the key properties of 1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine?
1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 289.40 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 113244692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).