1-[1-(methylamino)ethoxy]propane-1-thiol

C6H15NOS — CID 173191901

IUPAC1-[1-(methylamino)ethoxy]propane-1-thiol
SMILESCCC(S)OC(C)NC
InChIInChI=1S/C6H15NOS/c1-4-6(9)8-5(2)7-3/h5-7,9H,4H2,1-3H3
InChIKeyQUTTWYDWBZEFGY-UHFFFAOYSA-N
MW149.26 g/mol
LogP1.23
Rot. Bonds4

About 1-[1-(methylamino)ethoxy]propane-1-thiol

1-[1-(methylamino)ethoxy]propane-1-thiol (PubChem CID 173191901) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is 1-[1-(methylamino)ethoxy]propane-1-thiol.

Molecular Properties

Compound Name1-[1-(methylamino)ethoxy]propane-1-thiol
PubChem CID173191901
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name1-[1-(methylamino)ethoxy]propane-1-thiol
SMILESCCC(S)OC(C)NC
InChIInChI=1S/C6H15NOS/c1-4-6(9)8-5(2)7-3/h5-7,9H,4H2,1-3H3
InChIKeyQUTTWYDWBZEFGY-UHFFFAOYSA-N
XLogP1.23
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-N-methylethanamine
CID 57089902
1-(methylamino)propane-1-thiol;hydrochloride
CID 174383519
O-(1-sulfanylpropyl)hydroxylamine
CID 155907410
N,4-dimethylhexan-3-amine
CID 63559808
1-propoxypropane-1-thiol
CID 57215222
2,3-dimethylbutane;2,3-dimethylpentane;methanethiol
CID 171505915
1-butoxy-N-methylethanamine;ethane
CID 144998639
1-but-1-enoxy-N-methylethanamine
CID 174790469
(3S)-2-ethyl-N,3-dimethylpentan-1-amine
CID 163536067
3-ethyl-N,4-dimethylhexan-2-amine
CID 163950897
1-(1-butoxybutoxy)propane-1-thiol
CID 173191873
(2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide
CID 89069924

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methylamino)ethoxy]propane-1-thiol?
The IUPAC name of 1-[1-(methylamino)ethoxy]propane-1-thiol (CID 173191901) is 1-[1-(methylamino)ethoxy]propane-1-thiol.
What is the SMILES notation for 1-[1-(methylamino)ethoxy]propane-1-thiol?
The canonical SMILES for 1-[1-(methylamino)ethoxy]propane-1-thiol is CCC(S)OC(C)NC.
What is the InChIKey of 1-[1-(methylamino)ethoxy]propane-1-thiol?
The InChIKey is QUTTWYDWBZEFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-4-6(9)8-5(2)7-3/h5-7,9H,4H2,1-3H3.
What are the key properties of 1-[1-(methylamino)ethoxy]propane-1-thiol?
1-[1-(methylamino)ethoxy]propane-1-thiol has a molecular weight of 149.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methylamino)ethoxy]propane-1-thiol is sourced from PubChem (CID 173191901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).