methyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate

C12H23N3O4S — CID 103352831

IUPACmethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)NCC2(N)CCC2)CC1
InChIInChI=1S/C12H23N3O4S/c1-19-11(16)10-3-7-15(8-4-10)20(17,18)14-9-12(13)5-2-6-12/h10,14H,2-9,13H2,1H3
InChIKeyLFBCVTYJOXXJQU-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.41
Rot. Bonds5

About methyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate

methyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate (PubChem CID 103352831) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is methyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
PubChem CID103352831
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Namemethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)NCC2(N)CCC2)CC1
InChIInChI=1S/C12H23N3O4S/c1-19-11(16)10-3-7-15(8-4-10)20(17,18)14-9-12(13)5-2-6-12/h10,14H,2-9,13H2,1H3
InChIKeyLFBCVTYJOXXJQU-UHFFFAOYSA-N
XLogP-0.41
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 103352876
ethyl 1-[(1-hydroxycyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 115753944
methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate
CID 64541717
4-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]-2-methylbutanoic acid
CID 80537972
methyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate
CID 103270312
tert-butyl 1-[(1-ethylcyclopropyl)methylsulfamoyl]piperidine-4-carboxylate
CID 154764571
methyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate
CID 103352907
N-[(1-aminocyclohexyl)methyl]morpholine-4-sulfonamide;hydrochloride
CID 119958830
methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate
CID 47362555
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-4-carboxylate
CID 43502025
(2S)-2-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]-3-methylbutanoic acid
CID 61136238
methyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate
CID 102984420

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate (CID 103352831) is methyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)NCC2(N)CCC2)CC1.
What is the InChIKey of methyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate?
The InChIKey is LFBCVTYJOXXJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-19-11(16)10-3-7-15(8-4-10)20(17,18)14-9-12(13)5-2-6-12/h10,14H,2-9,13H2,1H3.
What are the key properties of methyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate?
methyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate has a molecular weight of 305.40 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 103352831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).