2-amino-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one

C8H16N2OS — CID 131181690

IUPAC2-amino-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one
SMILESCSC1CCN(C(=O)C(C)N)C1
InChIInChI=1S/C8H16N2OS/c1-6(9)8(11)10-4-3-7(5-10)12-2/h6-7H,3-5,9H2,1-2H3
InChIKeySINBGPJZXVFEDX-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.30
Rot. Bonds2

About 2-amino-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one

2-amino-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one (PubChem CID 131181690) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 2-amino-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one
PubChem CID131181690
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name2-amino-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one
SMILESCSC1CCN(C(=O)C(C)N)C1
InChIInChI=1S/C8H16N2OS/c1-6(9)8(11)10-4-3-7(5-10)12-2/h6-7H,3-5,9H2,1-2H3
InChIKeySINBGPJZXVFEDX-UHFFFAOYSA-N
XLogP0.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
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2-amino-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
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(2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one
CID 130747616
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380985
1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid
CID 113353831
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-aminopropan-1-one
CID 43620385
(2R)-2-amino-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170601
(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one
CID 66564457
(2S)-2-amino-1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 129393084
6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one
CID 114237000
(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one (CID 131181690) is 2-amino-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one is CSC1CCN(C(=O)C(C)N)C1.
What is the InChIKey of 2-amino-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one?
The InChIKey is SINBGPJZXVFEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-6(9)8(11)10-4-3-7(5-10)12-2/h6-7H,3-5,9H2,1-2H3.
What are the key properties of 2-amino-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one?
2-amino-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one has a molecular weight of 188.30 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 131181690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).