[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanamine

C8H18N2O3S — CID 62061634

IUPAC[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanamine
SMILESCOCCS(=O)(=O)N1CCC(CN)C1
InChIInChI=1S/C8H18N2O3S/c1-13-4-5-14(11,12)10-3-2-8(6-9)7-10/h8H,2-7,9H2,1H3
InChIKeyBAFIPNDYMXZGIR-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.76
Rot. Bonds5

About [1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanamine

[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanamine (PubChem CID 62061634) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is [1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanamine
PubChem CID62061634
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanamine
SMILESCOCCS(=O)(=O)N1CCC(CN)C1
InChIInChI=1S/C8H18N2O3S/c1-13-4-5-14(11,12)10-3-2-8(6-9)7-10/h8H,2-7,9H2,1H3
InChIKeyBAFIPNDYMXZGIR-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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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanamine (CID 62061634) is [1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanamine is COCCS(=O)(=O)N1CCC(CN)C1.
What is the InChIKey of [1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanamine?
The InChIKey is BAFIPNDYMXZGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-13-4-5-14(11,12)10-3-2-8(6-9)7-10/h8H,2-7,9H2,1H3.
What are the key properties of [1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanamine?
[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanamine 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 [1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62061634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).