3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine

C11H24N2O2S — CID 63762474

IUPAC3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine
SMILESCS(=O)(=O)CCCN1CCCC1CCCN
InChIInChI=1S/C11H24N2O2S/c1-16(14,15)10-4-9-13-8-3-6-11(13)5-2-7-12/h11H,2-10,12H2,1H3
InChIKeyHWVCDWYSFFVDDY-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.62
Rot. Bonds7

About 3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine

3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine (PubChem CID 63762474) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine
PubChem CID63762474
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine
SMILESCS(=O)(=O)CCCN1CCCC1CCCN
InChIInChI=1S/C11H24N2O2S/c1-16(14,15)10-4-9-13-8-3-6-11(13)5-2-7-12/h11H,2-10,12H2,1H3
InChIKeyHWVCDWYSFFVDDY-UHFFFAOYSA-N
XLogP0.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine (CID 63762474) is 3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine is CS(=O)(=O)CCCN1CCCC1CCCN.
What is the InChIKey of 3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine?
The InChIKey is HWVCDWYSFFVDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-16(14,15)10-4-9-13-8-3-6-11(13)5-2-7-12/h11H,2-10,12H2,1H3.
What are the key properties of 3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine?
3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine has a molecular weight of 248.39 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 63762474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).