propan-2-yl N-[2-(aminomethyl)-6-methylpiperidin-1-yl]sulfonylcarbamate

C11H23N3O4S — CID 114464856

IUPACpropan-2-yl N-[2-(aminomethyl)-6-methylpiperidin-1-yl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1C(C)CCCC1CN
InChIInChI=1S/C11H23N3O4S/c1-8(2)18-11(15)13-19(16,17)14-9(3)5-4-6-10(14)7-12/h8-10H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyRGPZJRLSIKYSAE-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.57
Rot. Bonds4

About propan-2-yl N-[2-(aminomethyl)-6-methylpiperidin-1-yl]sulfonylcarbamate

propan-2-yl N-[2-(aminomethyl)-6-methylpiperidin-1-yl]sulfonylcarbamate (PubChem CID 114464856) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is propan-2-yl N-[2-(aminomethyl)-6-methylpiperidin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-(aminomethyl)-6-methylpiperidin-1-yl]sulfonylcarbamate
PubChem CID114464856
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Namepropan-2-yl N-[2-(aminomethyl)-6-methylpiperidin-1-yl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1C(C)CCCC1CN
InChIInChI=1S/C11H23N3O4S/c1-8(2)18-11(15)13-19(16,17)14-9(3)5-4-6-10(14)7-12/h8-10H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyRGPZJRLSIKYSAE-UHFFFAOYSA-N
XLogP0.57
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze propan-2-yl N-[2-(aminomethyl)-6-methylpiperidin-1-yl]sulfonylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl N-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 112747937
2-(aminomethyl)-N-cyclopropyl-6-methylpiperidine-1-sulfonamide
CID 114810836
propan-2-yl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114464141
propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate
CID 114464874
methyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate
CID 114465457
propan-2-yl N-[2-(2-oxopropyl)azepan-1-yl]sulfonylcarbamate
CID 114463754
propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate
CID 114464921
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
propan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
CID 102786595
propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate
CID 114464288
propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate
CID 114467189
(2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929099

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-(aminomethyl)-6-methylpiperidin-1-yl]sulfonylcarbamate?
The IUPAC name of propan-2-yl N-[2-(aminomethyl)-6-methylpiperidin-1-yl]sulfonylcarbamate (CID 114464856) is propan-2-yl N-[2-(aminomethyl)-6-methylpiperidin-1-yl]sulfonylcarbamate.
What is the SMILES notation for propan-2-yl N-[2-(aminomethyl)-6-methylpiperidin-1-yl]sulfonylcarbamate?
The canonical SMILES for propan-2-yl N-[2-(aminomethyl)-6-methylpiperidin-1-yl]sulfonylcarbamate is CC(C)OC(=O)NS(=O)(=O)N1C(C)CCCC1CN.
What is the InChIKey of propan-2-yl N-[2-(aminomethyl)-6-methylpiperidin-1-yl]sulfonylcarbamate?
The InChIKey is RGPZJRLSIKYSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-8(2)18-11(15)13-19(16,17)14-9(3)5-4-6-10(14)7-12/h8-10H,4-7,12H2,1-3H3,(H,13,15).
What are the key properties of propan-2-yl N-[2-(aminomethyl)-6-methylpiperidin-1-yl]sulfonylcarbamate?
propan-2-yl N-[2-(aminomethyl)-6-methylpiperidin-1-yl]sulfonylcarbamate has a molecular weight of 293.39 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-(aminomethyl)-6-methylpiperidin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 114464856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).