1-[2-(3-methoxypropoxy)ethylsulfanyl]propan-2-amine

C9H21NO2S — CID 103180189

IUPAC1-[2-(3-methoxypropoxy)ethylsulfanyl]propan-2-amine
SMILESCOCCCOCCSCC(C)N
InChIInChI=1S/C9H21NO2S/c1-9(10)8-13-7-6-12-5-3-4-11-2/h9H,3-8,10H2,1-2H3
InChIKeyJOVKSBDMMNHAIQ-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.12
Rot. Bonds9

About 1-[2-(3-methoxypropoxy)ethylsulfanyl]propan-2-amine

1-[2-(3-methoxypropoxy)ethylsulfanyl]propan-2-amine (PubChem CID 103180189) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethylsulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethylsulfanyl]propan-2-amine
PubChem CID103180189
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name1-[2-(3-methoxypropoxy)ethylsulfanyl]propan-2-amine
SMILESCOCCCOCCSCC(C)N
InChIInChI=1S/C9H21NO2S/c1-9(10)8-13-7-6-12-5-3-4-11-2/h9H,3-8,10H2,1-2H3
InChIKeyJOVKSBDMMNHAIQ-UHFFFAOYSA-N
XLogP1.12
TPSA44.48 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 ≤ 51.12
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

(2R)-1-(2-methoxyethylsulfanyl)propan-2-amine
CID 104889147
1-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfanyl]propan-2-amine
CID 113427112
6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine
CID 103177211
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
3-[2-(2-methoxyethoxy)ethylsulfanyl]-2-methylpropan-1-ol
CID 66105162
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoate
CID 140815582
6-(2-methoxyethylsulfanyl)hexan-2-amine
CID 64615572
3-[2-(2-methylpropylsulfanyl)ethoxy]propan-1-ol
CID 91250922
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853
1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine
CID 103184111
3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol
CID 79682128
1-(3-ethoxypropoxy)-4-methoxybutane
CID 59660847

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)ethylsulfanyl]propan-2-amine?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethylsulfanyl]propan-2-amine (CID 103180189) is 1-[2-(3-methoxypropoxy)ethylsulfanyl]propan-2-amine.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethylsulfanyl]propan-2-amine?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethylsulfanyl]propan-2-amine is COCCCOCCSCC(C)N.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethylsulfanyl]propan-2-amine?
The InChIKey is JOVKSBDMMNHAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-9(10)8-13-7-6-12-5-3-4-11-2/h9H,3-8,10H2,1-2H3.
What are the key properties of 1-[2-(3-methoxypropoxy)ethylsulfanyl]propan-2-amine?
1-[2-(3-methoxypropoxy)ethylsulfanyl]propan-2-amine has a molecular weight of 207.34 g/mol, XLogP of 1.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)ethylsulfanyl]propan-2-amine is sourced from PubChem (CID 103180189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).