3-(2-aminopropylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione

C10H18N2O2S — CID 66217266

IUPAC3-(2-aminopropylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(N)CSC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C10H18N2O2S/c1-6(2)12-9(13)4-8(10(12)14)15-5-7(3)11/h6-8H,4-5,11H2,1-3H3
InChIKeyAWQAOBIXMUQFGN-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.60
Rot. Bonds4

About 3-(2-aminopropylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione

3-(2-aminopropylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 66217266) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-(2-aminopropylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-aminopropylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID66217266
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name3-(2-aminopropylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(N)CSC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C10H18N2O2S/c1-6(2)12-9(13)4-8(10(12)14)15-5-7(3)11/h6-8H,4-5,11H2,1-3H3
InChIKeyAWQAOBIXMUQFGN-UHFFFAOYSA-N
XLogP0.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43638414
methyl 3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)sulfanyl-2-methylpropanoate
CID 66115115
3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)sulfanyl-N'-sulfanylsulfinothioylpropanimidamide
CID 174026171
methyl 3-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)sulfanyl-2-methylpropanoate
CID 66115561
2-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)sulfanylacetic acid
CID 43638328
3-[(3-methyl-2-oxobutyl)disulfanyl]-1-propan-2-ylpyrrolidine-2,5-dione
CID 130352569
3-(2-amino-4-methyl-3-oxopentyl)sulfanyl-1-ethylpyrrolidine-2,5-dione
CID 167447952
3-(azetidin-3-ylmethylsulfanyl)-1-butan-2-ylpyrrolidine-2,5-dione
CID 66290545
1-(5-methylhexyl)-3-(2-methylpropylsulfanyl)pyrrolidine-2,5-dione
CID 154948740
3-(3-aminobutylsulfanyl)-1-cyclopropylpyrrolidine-2,5-dione
CID 66234193
(2,5-dioxo-3-propan-2-ylsulfanylpyrrolidin-1-yl) 2-methylpropanoate;1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine-2,5-dione
CID 159700204
3-[3-(2-aminopropylsulfanyl)-2-oxopyrrolidin-1-yl]propanal
CID 122643742

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-aminopropylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione (CID 66217266) is 3-(2-aminopropylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-aminopropylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-aminopropylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione is CC(N)CSC1CC(=O)N(C(C)C)C1=O.
What is the InChIKey of 3-(2-aminopropylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is AWQAOBIXMUQFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-6(2)12-9(13)4-8(10(12)14)15-5-7(3)11/h6-8H,4-5,11H2,1-3H3.
What are the key properties of 3-(2-aminopropylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione?
3-(2-aminopropylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 230.33 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 66217266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).