(2R)-1-(2-methylsulfinylethylamino)propan-2-ol

C6H15NO2S — CID 106932556

IUPAC(2R)-1-(2-methylsulfinylethylamino)propan-2-ol
SMILESC[C@@H](O)CNCCS(C)=O
InChIInChI=1S/C6H15NO2S/c1-6(8)5-7-3-4-10(2)9/h6-8H,3-5H2,1-2H3/t6-,10?/m1/s1
InChIKeyQZLZVBSFINHRHR-ZMMDDIOLSA-N
MW165.26 g/mol
LogP-0.66
Rot. Bonds5

About (2R)-1-(2-methylsulfinylethylamino)propan-2-ol

(2R)-1-(2-methylsulfinylethylamino)propan-2-ol (PubChem CID 106932556) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is (2R)-1-(2-methylsulfinylethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-methylsulfinylethylamino)propan-2-ol
PubChem CID106932556
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name(2R)-1-(2-methylsulfinylethylamino)propan-2-ol
SMILESC[C@@H](O)CNCCS(C)=O
InChIInChI=1S/C6H15NO2S/c1-6(8)5-7-3-4-10(2)9/h6-8H,3-5H2,1-2H3/t6-,10?/m1/s1
InChIKeyQZLZVBSFINHRHR-ZMMDDIOLSA-N
XLogP-0.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylsulfinylethyl)-2-phenylpropan-1-amine
CID 115763450
1-(3-silylpropylamino)propan-2-ol
CID 165030604
(2R)-1-[2-(methylamino)ethylamino]propan-2-ol
CID 143132001
1-(2-hydroxypropylamino)propan-2-ol;methane
CID 161456696
1-(2-hydroxypropylamino)propan-2-ol;zinc
CID 175137712
2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724434
1-[2-(propan-2-ylamino)ethylamino]propan-2-ol
CID 104594507
1-(2-hydroxyethylamino)propan-2-ol;propane
CID 145289862
5-[[(2R)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131822
N-(cyclopropylmethyl)-2-methylsulfinylethanamine
CID 115632660
2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane
CID 114959448
1-(pentylamino)propan-2-ol
CID 3016247

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methylsulfinylethylamino)propan-2-ol?
The IUPAC name of (2R)-1-(2-methylsulfinylethylamino)propan-2-ol (CID 106932556) is (2R)-1-(2-methylsulfinylethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-methylsulfinylethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(2-methylsulfinylethylamino)propan-2-ol is C[C@@H](O)CNCCS(C)=O.
What is the InChIKey of (2R)-1-(2-methylsulfinylethylamino)propan-2-ol?
The InChIKey is QZLZVBSFINHRHR-ZMMDDIOLSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-6(8)5-7-3-4-10(2)9/h6-8H,3-5H2,1-2H3/t6-,10?/m1/s1.
What are the key properties of (2R)-1-(2-methylsulfinylethylamino)propan-2-ol?
(2R)-1-(2-methylsulfinylethylamino)propan-2-ol has a molecular weight of 165.26 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methylsulfinylethylamino)propan-2-ol is sourced from PubChem (CID 106932556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).