1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylsulfonylethanone

C10H20N2O3S — CID 103440864

IUPAC1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylsulfonylethanone
SMILESCC1CCN(C(=O)CS(C)(=O)=O)C(CN)C1
InChIInChI=1S/C10H20N2O3S/c1-8-3-4-12(9(5-8)6-11)10(13)7-16(2,14)15/h8-9H,3-7,11H2,1-2H3
InChIKeyROMVVEDCKBVRMR-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.38
Rot. Bonds3

About 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylsulfonylethanone

1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylsulfonylethanone (PubChem CID 103440864) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylsulfonylethanone
PubChem CID103440864
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylsulfonylethanone
SMILESCC1CCN(C(=O)CS(C)(=O)=O)C(CN)C1
InChIInChI=1S/C10H20N2O3S/c1-8-3-4-12(9(5-8)6-11)10(13)7-16(2,14)15/h8-9H,3-7,11H2,1-2H3
InChIKeyROMVVEDCKBVRMR-UHFFFAOYSA-N
XLogP-0.38
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one
CID 103440808
(2R)-2-amino-1-[2-(aminomethyl)-4-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130743724
2-(aminomethyl)-N,N,4-trimethylpiperidine-1-carboxamide
CID 103441346
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 103441005
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-ethoxybutan-1-one
CID 103440873
2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide
CID 103441340
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 103440850
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone
CID 103441123
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone
CID 103440872
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 103440929
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103441080
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone
CID 79548822

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylsulfonylethanone?
The IUPAC name of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylsulfonylethanone (CID 103440864) is 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylsulfonylethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylsulfonylethanone?
The canonical SMILES for 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylsulfonylethanone is CC1CCN(C(=O)CS(C)(=O)=O)C(CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylsulfonylethanone?
The InChIKey is ROMVVEDCKBVRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8-3-4-12(9(5-8)6-11)10(13)7-16(2,14)15/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylsulfonylethanone?
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylsulfonylethanone has a molecular weight of 248.35 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylsulfonylethanone is sourced from PubChem (CID 103440864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).