N-(2-ethylsulfanylethyl)-2,3-dimethoxypropan-1-amine

C9H21NO2S — CID 102672962

IUPACN-(2-ethylsulfanylethyl)-2,3-dimethoxypropan-1-amine
SMILESCCSCCNCC(COC)OC
InChIInChI=1S/C9H21NO2S/c1-4-13-6-5-10-7-9(12-3)8-11-2/h9-10H,4-8H2,1-3H3
InChIKeyPOQFXTWWVSYFBG-UHFFFAOYSA-N
MW207.34 g/mol
LogP0.99
Rot. Bonds9

About N-(2-ethylsulfanylethyl)-2,3-dimethoxypropan-1-amine

N-(2-ethylsulfanylethyl)-2,3-dimethoxypropan-1-amine (PubChem CID 102672962) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-2,3-dimethoxypropan-1-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-2,3-dimethoxypropan-1-amine
PubChem CID102672962
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-(2-ethylsulfanylethyl)-2,3-dimethoxypropan-1-amine
SMILESCCSCCNCC(COC)OC
InChIInChI=1S/C9H21NO2S/c1-4-13-6-5-10-7-9(12-3)8-11-2/h9-10H,4-8H2,1-3H3
InChIKeyPOQFXTWWVSYFBG-UHFFFAOYSA-N
XLogP0.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine
CID 104669061
chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride
CID 139119576
2-methoxy-N-propylbutan-1-amine
CID 62446369
1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 114099796
N'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-diamine
CID 114100553
N-[(2-ethylphenyl)methyl]-2,3-dimethoxypropan-1-amine
CID 114099391
2-hexoxy-3-methoxy-N-propylpropan-1-amine
CID 103227913
2-methoxy-N-(2-methoxybutyl)butan-1-amine
CID 87913992
N-(cyclopropylmethyl)-2-ethylsulfanylethanamine
CID 62578386
4-methoxy-2,3-dimethyl-N-propylbutan-1-amine
CID 81016349
1-(2-methoxyethoxy)-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol
CID 106427994
2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine
CID 107095421

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-2,3-dimethoxypropan-1-amine?
The IUPAC name of N-(2-ethylsulfanylethyl)-2,3-dimethoxypropan-1-amine (CID 102672962) is N-(2-ethylsulfanylethyl)-2,3-dimethoxypropan-1-amine.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-2,3-dimethoxypropan-1-amine?
The canonical SMILES for N-(2-ethylsulfanylethyl)-2,3-dimethoxypropan-1-amine is CCSCCNCC(COC)OC.
What is the InChIKey of N-(2-ethylsulfanylethyl)-2,3-dimethoxypropan-1-amine?
The InChIKey is POQFXTWWVSYFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-13-6-5-10-7-9(12-3)8-11-2/h9-10H,4-8H2,1-3H3.
What are the key properties of N-(2-ethylsulfanylethyl)-2,3-dimethoxypropan-1-amine?
N-(2-ethylsulfanylethyl)-2,3-dimethoxypropan-1-amine has a molecular weight of 207.34 g/mol, XLogP of 0.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-2,3-dimethoxypropan-1-amine is sourced from PubChem (CID 102672962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).