2-(2-amino-2-methylpropyl)sulfinyl-1-pyrrolidin-1-ylethanone

C10H20N2O2S — CID 81189924

IUPAC2-(2-amino-2-methylpropyl)sulfinyl-1-pyrrolidin-1-ylethanone
SMILESCC(C)(N)CS(=O)CC(=O)N1CCCC1
InChIInChI=1S/C10H20N2O2S/c1-10(2,11)8-15(14)7-9(13)12-5-3-4-6-12/h3-8,11H2,1-2H3
InChIKeyDRISFVRSGLBNOI-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.09
Rot. Bonds4

About 2-(2-amino-2-methylpropyl)sulfinyl-1-pyrrolidin-1-ylethanone

2-(2-amino-2-methylpropyl)sulfinyl-1-pyrrolidin-1-ylethanone (PubChem CID 81189924) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)sulfinyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)sulfinyl-1-pyrrolidin-1-ylethanone
PubChem CID81189924
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-(2-amino-2-methylpropyl)sulfinyl-1-pyrrolidin-1-ylethanone
SMILESCC(C)(N)CS(=O)CC(=O)N1CCCC1
InChIInChI=1S/C10H20N2O2S/c1-10(2,11)8-15(14)7-9(13)12-5-3-4-6-12/h3-8,11H2,1-2H3
InChIKeyDRISFVRSGLBNOI-UHFFFAOYSA-N
XLogP0.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxypropylsulfinyl)-1-piperidin-1-ylethanone
CID 123101006
ethyl 2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)sulfinylpropanoate
CID 114236065
2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone
CID 66221215
2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfinyl-1-pyrrolidin-1-ylethanone
CID 114236179
3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfinylbutanoic acid
CID 105355713
(2R)-2-acetamido-3-[2-(azepan-1-yl)-2-oxoethyl]sulfinylpropanoic acid
CID 107775508
N-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
CID 119630529
2-amino-1-piperidin-1-ylethanone;methanol
CID 142937104
4-hydroxy-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one
CID 178086217
3-amino-1-(1,1-dioxo-1,4-thiazepan-4-yl)-3-methylbutan-1-one
CID 103810943
3-amino-3-methyl-1-(4-methylazepan-1-yl)butan-1-one
CID 64677870
2-(1-amino-2-methylpropan-2-yl)oxy-1-pyrrolidin-1-ylethanone
CID 65053500

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)sulfinyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-amino-2-methylpropyl)sulfinyl-1-pyrrolidin-1-ylethanone (CID 81189924) is 2-(2-amino-2-methylpropyl)sulfinyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)sulfinyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-amino-2-methylpropyl)sulfinyl-1-pyrrolidin-1-ylethanone is CC(C)(N)CS(=O)CC(=O)N1CCCC1.
What is the InChIKey of 2-(2-amino-2-methylpropyl)sulfinyl-1-pyrrolidin-1-ylethanone?
The InChIKey is DRISFVRSGLBNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-10(2,11)8-15(14)7-9(13)12-5-3-4-6-12/h3-8,11H2,1-2H3.
What are the key properties of 2-(2-amino-2-methylpropyl)sulfinyl-1-pyrrolidin-1-ylethanone?
2-(2-amino-2-methylpropyl)sulfinyl-1-pyrrolidin-1-ylethanone has a molecular weight of 232.35 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)sulfinyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 81189924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).