2-(3-amino-2-methylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one

C11H22N2OS — CID 66226966

IUPAC2-(3-amino-2-methylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(CN)CSC(C)C(=O)N1CCCC1
InChIInChI=1S/C11H22N2OS/c1-9(7-12)8-15-10(2)11(14)13-5-3-4-6-13/h9-10H,3-8,12H2,1-2H3
InChIKeyMUKORQQXMCYLDT-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.33
Rot. Bonds5

About 2-(3-amino-2-methylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one

2-(3-amino-2-methylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 66226966) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID66226966
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name2-(3-amino-2-methylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(CN)CSC(C)C(=O)N1CCCC1
InChIInChI=1S/C11H22N2OS/c1-9(7-12)8-15-10(2)11(14)13-5-3-4-6-13/h9-10H,3-8,12H2,1-2H3
InChIKeyMUKORQQXMCYLDT-UHFFFAOYSA-N
XLogP1.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone
CID 66227467
2-amino-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylbutanoic acid
CID 54933661
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
2-(4-aminobutan-2-ylsulfanyl)-1-(azepan-1-yl)propan-1-one
CID 66228390
2-(3-amino-2-methylpropyl)sulfinyl-1-piperidin-1-ylpropan-1-one
CID 81200817
1-(4-ethylpiperazin-1-yl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropan-1-one
CID 111463890
2-(3-hydroxy-2-methylpropyl)sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 111463889
2-[(3-amino-2-methylpropyl)-ethylamino]-1-(azepan-1-yl)propan-1-one
CID 54987810
(2S)-2-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 96537581
2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 43086548
2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one
CID 114281945
N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide
CID 79152799

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one (CID 66226966) is 2-(3-amino-2-methylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(3-amino-2-methylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one is CC(CN)CSC(C)C(=O)N1CCCC1.
What is the InChIKey of 2-(3-amino-2-methylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is MUKORQQXMCYLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-9(7-12)8-15-10(2)11(14)13-5-3-4-6-13/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 2-(3-amino-2-methylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one?
2-(3-amino-2-methylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 230.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 66226966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).