2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine

C8H18N2O3S — CID 64569912

IUPAC2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine
SMILESCOCC1CCN(S(=O)(=O)CCN)C1
InChIInChI=1S/C8H18N2O3S/c1-13-7-8-2-4-10(6-8)14(11,12)5-3-9/h8H,2-7,9H2,1H3
InChIKeyLOSGZSMWZOELTC-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.76
Rot. Bonds5

About 2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine

2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine (PubChem CID 64569912) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine
PubChem CID64569912
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine
SMILESCOCC1CCN(S(=O)(=O)CCN)C1
InChIInChI=1S/C8H18N2O3S/c1-13-7-8-2-4-10(6-8)14(11,12)5-3-9/h8H,2-7,9H2,1H3
InChIKeyLOSGZSMWZOELTC-UHFFFAOYSA-N
XLogP-0.76
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine
CID 106586707
(3R)-3-(methoxymethyl)pyrrolidine-1-sulfonamide
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1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine
CID 106588259
1-(2-aminoethylsulfonyl)pyrrolidin-3-ol
CID 62941538
3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethoxy]aniline
CID 64570802
3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid
CID 106586181
3-(methoxymethyl)azetidine-1-sulfonamide
CID 167526411
N-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide
CID 102736166
[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine
CID 63288293
3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine
CID 103532634
[1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 119972217
[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine
CID 79594313

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine (CID 64569912) is 2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine is COCC1CCN(S(=O)(=O)CCN)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine?
The InChIKey is LOSGZSMWZOELTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-13-7-8-2-4-10(6-8)14(11,12)5-3-9/h8H,2-7,9H2,1H3.
What are the key properties of 2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine?
2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine has a molecular weight of 222.31 g/mol, XLogP of -0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine is sourced from PubChem (CID 64569912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).