propan-2-yl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate

C11H23N3O4S — CID 103441565

IUPACpropan-2-yl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate
SMILESCC1CCN(S(=O)(=O)NC(=O)OC(C)C)C(CN)C1
InChIInChI=1S/C11H23N3O4S/c1-8(2)18-11(15)13-19(16,17)14-5-4-9(3)6-10(14)7-12/h8-10H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyLHLFXMHHOFBJOZ-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.43
Rot. Bonds4

About propan-2-yl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate

propan-2-yl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate (PubChem CID 103441565) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is propan-2-yl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate
PubChem CID103441565
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Namepropan-2-yl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate
SMILESCC1CCN(S(=O)(=O)NC(=O)OC(C)C)C(CN)C1
InChIInChI=1S/C11H23N3O4S/c1-8(2)18-11(15)13-19(16,17)14-5-4-9(3)6-10(14)7-12/h8-10H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyLHLFXMHHOFBJOZ-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate?
The IUPAC name of propan-2-yl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate (CID 103441565) is propan-2-yl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate.
What is the SMILES notation for propan-2-yl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate?
The canonical SMILES for propan-2-yl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate is CC1CCN(S(=O)(=O)NC(=O)OC(C)C)C(CN)C1.
What is the InChIKey of propan-2-yl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate?
The InChIKey is LHLFXMHHOFBJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-8(2)18-11(15)13-19(16,17)14-5-4-9(3)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)-4-methylpiperidin-1-yl]sulfonylcarbamate?
propan-2-yl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate has a molecular weight of 293.39 g/mol, XLogP of 0.43, 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)-4-methylpiperidin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 103441565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).