1-(2-ethoxyethylamino)-2-methyl-3-methylsulfanylpropan-2-ol

C9H21NO2S — CID 106247153

IUPAC1-(2-ethoxyethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCCOCCNCC(C)(O)CSC
InChIInChI=1S/C9H21NO2S/c1-4-12-6-5-10-7-9(2,11)8-13-3/h10-11H,4-8H2,1-3H3
InChIKeyVMHVVIXIYHLSTD-UHFFFAOYSA-N
MW207.34 g/mol
LogP0.73
Rot. Bonds8

About 1-(2-ethoxyethylamino)-2-methyl-3-methylsulfanylpropan-2-ol

1-(2-ethoxyethylamino)-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106247153) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-(2-ethoxyethylamino)-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-ethoxyethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106247153
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name1-(2-ethoxyethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCCOCCNCC(C)(O)CSC
InChIInChI=1S/C9H21NO2S/c1-4-12-6-5-10-7-9(2,11)8-13-3/h10-11H,4-8H2,1-3H3
InChIKeyVMHVVIXIYHLSTD-UHFFFAOYSA-N
XLogP0.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246870
N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-2,2-dimethylpropan-1-amine
CID 138727338
3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol
CID 66186020
3-(2-ethoxyethylamino)-N,2,2-trimethylpropanamide
CID 106277468
1-(3-ethoxypropyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 111439347
1-methoxy-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 62774154
5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentanenitrile
CID 106246917
6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]hexanoic acid
CID 106247319
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol
CID 113426999
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol
CID 106292550
1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(2-methoxyethyl)urea
CID 90523244
N-[1-(2-ethoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63858634

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(2-ethoxyethylamino)-2-methyl-3-methylsulfanylpropan-2-ol (CID 106247153) is 1-(2-ethoxyethylamino)-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-ethoxyethylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(2-ethoxyethylamino)-2-methyl-3-methylsulfanylpropan-2-ol is CCOCCNCC(C)(O)CSC.
What is the InChIKey of 1-(2-ethoxyethylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is VMHVVIXIYHLSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-12-6-5-10-7-9(2,11)8-13-3/h10-11H,4-8H2,1-3H3.
What are the key properties of 1-(2-ethoxyethylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
1-(2-ethoxyethylamino)-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 207.34 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethylamino)-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106247153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).