N-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanesulfonamide

C9H21N3O2S — CID 28940580

IUPACN-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1(CN)CCN(C)CC1
InChIInChI=1S/C9H21N3O2S/c1-3-15(13,14)11-9(8-10)4-6-12(2)7-5-9/h11H,3-8,10H2,1-2H3
InChIKeyQZKZCDGEQWBFPS-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.65
Rot. Bonds4

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

N-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanesulfonamide (PubChem CID 28940580) 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]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanesulfonamide
PubChem CID28940580
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1(CN)CCN(C)CC1
InChIInChI=1S/C9H21N3O2S/c1-3-15(13,14)11-9(8-10)4-6-12(2)7-5-9/h11H,3-8,10H2,1-2H3
InChIKeyQZKZCDGEQWBFPS-UHFFFAOYSA-N
XLogP-0.65
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 ≤ 5-0.65
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]ethanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanesulfonamide (CID 28940580) is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1(CN)CCN(C)CC1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanesulfonamide?
The InChIKey is QZKZCDGEQWBFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-3-15(13,14)11-9(8-10)4-6-12(2)7-5-9/h11H,3-8,10H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanesulfonamide?
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.65, 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]ethanesulfonamide is sourced from PubChem (CID 28940580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).