N,N-dimethyl-2-(4-methylpiperidin-1-yl)sulfonylethanamine

C10H22N2O2S — CID 59862675

IUPACN,N-dimethyl-2-(4-methylpiperidin-1-yl)sulfonylethanamine
SMILESCC1CCN(S(=O)(=O)CCN(C)C)CC1
InChIInChI=1S/C10H22N2O2S/c1-10-4-6-12(7-5-10)15(13,14)9-8-11(2)3/h10H,4-9H2,1-3H3
InChIKeyTZJYMUVIMKXBIS-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.61
Rot. Bonds4

About N,N-dimethyl-2-(4-methylpiperidin-1-yl)sulfonylethanamine

N,N-dimethyl-2-(4-methylpiperidin-1-yl)sulfonylethanamine (PubChem CID 59862675) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylpiperidin-1-yl)sulfonylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylpiperidin-1-yl)sulfonylethanamine
PubChem CID59862675
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN,N-dimethyl-2-(4-methylpiperidin-1-yl)sulfonylethanamine
SMILESCC1CCN(S(=O)(=O)CCN(C)C)CC1
InChIInChI=1S/C10H22N2O2S/c1-10-4-6-12(7-5-10)15(13,14)9-8-11(2)3/h10H,4-9H2,1-3H3
InChIKeyTZJYMUVIMKXBIS-UHFFFAOYSA-N
XLogP0.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylpiperidin-1-yl)sulfonylethanamine?
The IUPAC name of N,N-dimethyl-2-(4-methylpiperidin-1-yl)sulfonylethanamine (CID 59862675) is N,N-dimethyl-2-(4-methylpiperidin-1-yl)sulfonylethanamine.
What is the SMILES notation for N,N-dimethyl-2-(4-methylpiperidin-1-yl)sulfonylethanamine?
The canonical SMILES for N,N-dimethyl-2-(4-methylpiperidin-1-yl)sulfonylethanamine is CC1CCN(S(=O)(=O)CCN(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-(4-methylpiperidin-1-yl)sulfonylethanamine?
The InChIKey is TZJYMUVIMKXBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10-4-6-12(7-5-10)15(13,14)9-8-11(2)3/h10H,4-9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-methylpiperidin-1-yl)sulfonylethanamine?
N,N-dimethyl-2-(4-methylpiperidin-1-yl)sulfonylethanamine has a molecular weight of 234.36 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methylpiperidin-1-yl)sulfonylethanamine is sourced from PubChem (CID 59862675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).