3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-amine

C12H24N2O3S — CID 55241789

IUPAC3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-amine
SMILESNCCCC1CCCN1S(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H24N2O3S/c13-7-1-3-11-4-2-8-14(11)18(15,16)12-5-9-17-10-6-12/h11-12H,1-10,13H2
InChIKeyJGKFPFFJEXMICB-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.70
Rot. Bonds5

About 3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-amine

3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-amine (PubChem CID 55241789) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-amine
PubChem CID55241789
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-amine
SMILESNCCCC1CCCN1S(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H24N2O3S/c13-7-1-3-11-4-2-8-14(11)18(15,16)12-5-9-17-10-6-12/h11-12H,1-10,13H2
InChIKeyJGKFPFFJEXMICB-UHFFFAOYSA-N
XLogP0.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-amine (CID 55241789) is 3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-amine is NCCCC1CCCN1S(=O)(=O)C1CCOCC1.
What is the InChIKey of 3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-amine?
The InChIKey is JGKFPFFJEXMICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c13-7-1-3-11-4-2-8-14(11)18(15,16)12-5-9-17-10-6-12/h11-12H,1-10,13H2.
What are the key properties of 3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-amine?
3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-amine has a molecular weight of 276.40 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 55241789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).