[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine

C10H20N2O3S — CID 63247574

IUPAC[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)CC2CCCO2)C1
InChIInChI=1S/C10H20N2O3S/c11-6-9-3-4-12(7-9)16(13,14)8-10-2-1-5-15-10/h9-10H,1-8,11H2
InChIKeyNUCQIOMDGUGDRV-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.22
Rot. Bonds4

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

[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine (PubChem CID 63247574) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is [1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine
PubChem CID63247574
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)CC2CCCO2)C1
InChIInChI=1S/C10H20N2O3S/c11-6-9-3-4-12(7-9)16(13,14)8-10-2-1-5-15-10/h9-10H,1-8,11H2
InChIKeyNUCQIOMDGUGDRV-UHFFFAOYSA-N
XLogP-0.22
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine (CID 63247574) is [1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine is NCC1CCN(S(=O)(=O)CC2CCCO2)C1.
What is the InChIKey of [1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine?
The InChIKey is NUCQIOMDGUGDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c11-6-9-3-4-12(7-9)16(13,14)8-10-2-1-5-15-10/h9-10H,1-8,11H2.
What are the key properties of [1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine?
[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine has a molecular weight of 248.35 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 63247574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).