[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine

C10H22N2O2S — CID 84698058

IUPAC[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine
SMILESCC(C)S(=O)(=O)CCN1CCCC1CN
InChIInChI=1S/C10H22N2O2S/c1-9(2)15(13,14)7-6-12-5-3-4-10(12)8-11/h9-10H,3-8,11H2,1-2H3
InChIKeyOEUKTAIHJZHCOA-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.23
Rot. Bonds5

About [1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine

[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine (PubChem CID 84698058) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is [1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine
PubChem CID84698058
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine
SMILESCC(C)S(=O)(=O)CCN1CCCC1CN
InChIInChI=1S/C10H22N2O2S/c1-9(2)15(13,14)7-6-12-5-3-4-10(12)8-11/h9-10H,3-8,11H2,1-2H3
InChIKeyOEUKTAIHJZHCOA-UHFFFAOYSA-N
XLogP0.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]ethanesulfonamide
CID 114385518
2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
CID 106731203
1-(2-propan-2-ylsulfonylethyl)pyrrolidine-2-carbothioamide
CID 106724873
[(2R)-1-(3-methylbutyl)pyrrolidin-2-yl]methanamine
CID 93497649
tert-butyl (2S)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-2-carboxylate
CID 103773648
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 84706589
piperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanone
CID 106727923
N-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine
CID 106721500
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106725856
1-[1-(2-methylsulfonylethyl)azepan-2-yl]propan-2-ol
CID 114338663
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 63759548

Frequently Asked Questions

What is the IUPAC name of [1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine (CID 84698058) is [1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine is CC(C)S(=O)(=O)CCN1CCCC1CN.
What is the InChIKey of [1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine?
The InChIKey is OEUKTAIHJZHCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9(2)15(13,14)7-6-12-5-3-4-10(12)8-11/h9-10H,3-8,11H2,1-2H3.
What are the key properties of [1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine?
[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine has a molecular weight of 234.36 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 84698058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).