(2S)-1-[(R)-methylsulfinyl]propan-2-amine

C4H11NOS — CID 96718307

IUPAC(2S)-1-[(R)-methylsulfinyl]propan-2-amine
SMILESC[C@H](N)C[S@@](C)=O
InChIInChI=1S/C4H11NOS/c1-4(5)3-7(2)6/h4H,3,5H2,1-2H3/t4-,7+/m0/s1
InChIKeyGKPYCCZIRSEVMW-MHTLYPKNSA-N
MW121.20 g/mol
LogP-0.29
Rot. Bonds2

About (2S)-1-[(R)-methylsulfinyl]propan-2-amine

(2S)-1-[(R)-methylsulfinyl]propan-2-amine (PubChem CID 96718307) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is (2S)-1-[(R)-methylsulfinyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[(R)-methylsulfinyl]propan-2-amine
PubChem CID96718307
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC Name(2S)-1-[(R)-methylsulfinyl]propan-2-amine
SMILESC[C@H](N)C[S@@](C)=O
InChIInChI=1S/C4H11NOS/c1-4(5)3-7(2)6/h4H,3,5H2,1-2H3/t4-,7+/m0/s1
InChIKeyGKPYCCZIRSEVMW-MHTLYPKNSA-N
XLogP-0.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-methylsulfinylpropan-2-amine
CID 88956942
(2R)-1-ethylsulfinylpropan-2-amine
CID 88956944
3,3-dimethyl-1-methylsulfinylbutan-2-amine
CID 64655614
1-prop-1-ynylsulfinylpropan-2-amine
CID 91440007
2-(2-aminopropylsulfinyl)propanamide
CID 81188607
1-methylsulfinyl-N-propan-2-ylpropan-2-amine
CID 104537797
1-cyclopentylsulfinylpropan-2-amine
CID 64655238
1-cycloheptylsulfinylpropan-2-amine
CID 82934442
6-(2-aminopropylsulfinyl)hexan-1-ol
CID 107707424
4-(2-aminopropylsulfinyl)butanenitrile
CID 81189772
1,2-dichloro-3-methylsulfinylpropane
CID 91420159
3-methylsulfinylpropane-1,2-diol
CID 22377909

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(R)-methylsulfinyl]propan-2-amine?
The IUPAC name of (2S)-1-[(R)-methylsulfinyl]propan-2-amine (CID 96718307) is (2S)-1-[(R)-methylsulfinyl]propan-2-amine.
What is the SMILES notation for (2S)-1-[(R)-methylsulfinyl]propan-2-amine?
The canonical SMILES for (2S)-1-[(R)-methylsulfinyl]propan-2-amine is C[C@H](N)C[S@@](C)=O.
What is the InChIKey of (2S)-1-[(R)-methylsulfinyl]propan-2-amine?
The InChIKey is GKPYCCZIRSEVMW-MHTLYPKNSA-N. The full InChI is InChI=1S/C4H11NOS/c1-4(5)3-7(2)6/h4H,3,5H2,1-2H3/t4-,7+/m0/s1.
What are the key properties of (2S)-1-[(R)-methylsulfinyl]propan-2-amine?
(2S)-1-[(R)-methylsulfinyl]propan-2-amine has a molecular weight of 121.20 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(R)-methylsulfinyl]propan-2-amine is sourced from PubChem (CID 96718307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).