N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine

C10H22N2O3S — CID 79864052

IUPACN-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
SMILESCOC1CNC(CN(C)CCS(C)(=O)=O)C1
InChIInChI=1S/C10H22N2O3S/c1-12(4-5-16(3,13)14)8-9-6-10(15-2)7-11-9/h9-11H,4-8H2,1-3H3
InChIKeyMSEKYGQHBOCLMI-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.66
Rot. Bonds6

About N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine

N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine (PubChem CID 79864052) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
PubChem CID79864052
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
SMILESCOC1CNC(CN(C)CCS(C)(=O)=O)C1
InChIInChI=1S/C10H22N2O3S/c1-12(4-5-16(3,13)14)8-9-6-10(15-2)7-11-9/h9-11H,4-8H2,1-3H3
InChIKeyMSEKYGQHBOCLMI-UHFFFAOYSA-N
XLogP-0.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine?
The IUPAC name of N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine (CID 79864052) is N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine.
What is the SMILES notation for N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine?
The canonical SMILES for N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine is COC1CNC(CN(C)CCS(C)(=O)=O)C1.
What is the InChIKey of N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine?
The InChIKey is MSEKYGQHBOCLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-12(4-5-16(3,13)14)8-9-6-10(15-2)7-11-9/h9-11H,4-8H2,1-3H3.
What are the key properties of N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine?
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine has a molecular weight of 250.36 g/mol, XLogP of -0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine is sourced from PubChem (CID 79864052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).