2-(ethylamino)-3-methylsulfanylpropan-1-ol

C6H15NOS — CID 64806015

IUPAC2-(ethylamino)-3-methylsulfanylpropan-1-ol
SMILESCCNC(CO)CSC
InChIInChI=1S/C6H15NOS/c1-3-7-6(4-8)5-9-2/h6-8H,3-5H2,1-2H3
InChIKeyGHBVHRIXYSOPCC-UHFFFAOYSA-N
MW149.26 g/mol
LogP0.32
Rot. Bonds5

About 2-(ethylamino)-3-methylsulfanylpropan-1-ol

2-(ethylamino)-3-methylsulfanylpropan-1-ol (PubChem CID 64806015) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is 2-(ethylamino)-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-3-methylsulfanylpropan-1-ol
PubChem CID64806015
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name2-(ethylamino)-3-methylsulfanylpropan-1-ol
SMILESCCNC(CO)CSC
InChIInChI=1S/C6H15NOS/c1-3-7-6(4-8)5-9-2/h6-8H,3-5H2,1-2H3
InChIKeyGHBVHRIXYSOPCC-UHFFFAOYSA-N
XLogP0.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-methylsulfanylpropan-1-ol?
The IUPAC name of 2-(ethylamino)-3-methylsulfanylpropan-1-ol (CID 64806015) is 2-(ethylamino)-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for 2-(ethylamino)-3-methylsulfanylpropan-1-ol?
The canonical SMILES for 2-(ethylamino)-3-methylsulfanylpropan-1-ol is CCNC(CO)CSC.
What is the InChIKey of 2-(ethylamino)-3-methylsulfanylpropan-1-ol?
The InChIKey is GHBVHRIXYSOPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-3-7-6(4-8)5-9-2/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-(ethylamino)-3-methylsulfanylpropan-1-ol?
2-(ethylamino)-3-methylsulfanylpropan-1-ol has a molecular weight of 149.26 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 64806015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).