N-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine

C11H24N2OS — CID 115689185

IUPACN-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCCS(=O)CCNC1CCN(C(C)C)C1
InChIInChI=1S/C11H24N2OS/c1-4-15(14)8-6-12-11-5-7-13(9-11)10(2)3/h10-12H,4-9H2,1-3H3
InChIKeyCLABDSJWSMKWQE-UHFFFAOYSA-N
MW232.39 g/mol
LogP0.83
Rot. Bonds6

About N-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine

N-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 115689185) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID115689185
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC NameN-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCCS(=O)CCNC1CCN(C(C)C)C1
InChIInChI=1S/C11H24N2OS/c1-4-15(14)8-6-12-11-5-7-13(9-11)10(2)3/h10-12H,4-9H2,1-3H3
InChIKeyCLABDSJWSMKWQE-UHFFFAOYSA-N
XLogP0.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]ethanol
CID 147943395
6-[(1-propan-2-ylpyrrolidin-3-yl)amino]hexan-3-ol
CID 115689573
3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid
CID 94057936
N-(2-ethylsulfinylethyl)cycloheptanamine
CID 115627115
N-(4-ethoxybutyl)-1-propan-2-ylpyrrolidin-3-amine
CID 115688879
1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine
CID 103748347
2-methyl-5-[(1-propan-2-ylpyrrolidin-3-yl)amino]pentan-1-ol
CID 103859417
1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine
CID 115689748
N-(3-methyl-2-propan-2-ylbutyl)-1-propan-2-ylpyrrolidin-3-amine
CID 102904528
N-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine
CID 115694258
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 130272361

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine (CID 115689185) is N-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine is CCS(=O)CCNC1CCN(C(C)C)C1.
What is the InChIKey of N-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is CLABDSJWSMKWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-4-15(14)8-6-12-11-5-7-13(9-11)10(2)3/h10-12H,4-9H2,1-3H3.
What are the key properties of N-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine?
N-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 232.39 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 115689185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).