N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]methanesulfonamide

C9H21N3O2S — CID 54217510

IUPACN-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]methanesulfonamide
SMILESCN1CCC(CN)(CNS(C)(=O)=O)CC1
InChIInChI=1S/C9H21N3O2S/c1-12-5-3-9(7-10,4-6-12)8-11-15(2,13)14/h11H,3-8,10H2,1-2H3
InChIKeyQAGAQMMAXSRFSH-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.79
Rot. Bonds4

About N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]methanesulfonamide

N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]methanesulfonamide (PubChem CID 54217510) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]methanesulfonamide
PubChem CID54217510
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]methanesulfonamide
SMILESCN1CCC(CN)(CNS(C)(=O)=O)CC1
InChIInChI=1S/C9H21N3O2S/c1-12-5-3-9(7-10,4-6-12)8-11-15(2,13)14/h11H,3-8,10H2,1-2H3
InChIKeyQAGAQMMAXSRFSH-UHFFFAOYSA-N
XLogP-0.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]methanesulfonamide (CID 54217510) is N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]methanesulfonamide is CN1CCC(CN)(CNS(C)(=O)=O)CC1.
What is the InChIKey of N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is QAGAQMMAXSRFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-12-5-3-9(7-10,4-6-12)8-11-15(2,13)14/h11H,3-8,10H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]methanesulfonamide?
N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 54217510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).