(1-butan-2-ylsulfonylpyrrolidin-3-yl)methanamine

C9H20N2O2S — CID 146504845

IUPAC(1-butan-2-ylsulfonylpyrrolidin-3-yl)methanamine
SMILESCCC(C)S(=O)(=O)N1CCC(CN)C1
InChIInChI=1S/C9H20N2O2S/c1-3-8(2)14(12,13)11-5-4-9(6-10)7-11/h8-9H,3-7,10H2,1-2H3
InChIKeyQLSFGGRAWFLTSK-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.40
Rot. Bonds4

About (1-butan-2-ylsulfonylpyrrolidin-3-yl)methanamine

(1-butan-2-ylsulfonylpyrrolidin-3-yl)methanamine (PubChem CID 146504845) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is (1-butan-2-ylsulfonylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-butan-2-ylsulfonylpyrrolidin-3-yl)methanamine
PubChem CID146504845
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name(1-butan-2-ylsulfonylpyrrolidin-3-yl)methanamine
SMILESCCC(C)S(=O)(=O)N1CCC(CN)C1
InChIInChI=1S/C9H20N2O2S/c1-3-8(2)14(12,13)11-5-4-9(6-10)7-11/h8-9H,3-7,10H2,1-2H3
InChIKeyQLSFGGRAWFLTSK-UHFFFAOYSA-N
XLogP0.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-butan-2-ylsulfonylpyrrolidin-3-yl)methanamine?
The IUPAC name of (1-butan-2-ylsulfonylpyrrolidin-3-yl)methanamine (CID 146504845) is (1-butan-2-ylsulfonylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (1-butan-2-ylsulfonylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (1-butan-2-ylsulfonylpyrrolidin-3-yl)methanamine is CCC(C)S(=O)(=O)N1CCC(CN)C1.
What is the InChIKey of (1-butan-2-ylsulfonylpyrrolidin-3-yl)methanamine?
The InChIKey is QLSFGGRAWFLTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-8(2)14(12,13)11-5-4-9(6-10)7-11/h8-9H,3-7,10H2,1-2H3.
What are the key properties of (1-butan-2-ylsulfonylpyrrolidin-3-yl)methanamine?
(1-butan-2-ylsulfonylpyrrolidin-3-yl)methanamine has a molecular weight of 220.34 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butan-2-ylsulfonylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 146504845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).