2-[2-(ethylamino)-3-methoxypropyl]sulfanylpropan-1-ol

C9H21NO2S — CID 107511551

IUPAC2-[2-(ethylamino)-3-methoxypropyl]sulfanylpropan-1-ol
SMILESCCNC(COC)CSC(C)CO
InChIInChI=1S/C9H21NO2S/c1-4-10-9(6-12-3)7-13-8(2)5-11/h8-11H,4-7H2,1-3H3
InChIKeyLVWDUDXLKANDNO-UHFFFAOYSA-N
MW207.34 g/mol
LogP0.72
Rot. Bonds8

About 2-[2-(ethylamino)-3-methoxypropyl]sulfanylpropan-1-ol

2-[2-(ethylamino)-3-methoxypropyl]sulfanylpropan-1-ol (PubChem CID 107511551) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-[2-(ethylamino)-3-methoxypropyl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(ethylamino)-3-methoxypropyl]sulfanylpropan-1-ol
PubChem CID107511551
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name2-[2-(ethylamino)-3-methoxypropyl]sulfanylpropan-1-ol
SMILESCCNC(COC)CSC(C)CO
InChIInChI=1S/C9H21NO2S/c1-4-10-9(6-12-3)7-13-8(2)5-11/h8-11H,4-7H2,1-3H3
InChIKeyLVWDUDXLKANDNO-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-3-methoxypropyl]sulfanylpropan-1-ol?
The IUPAC name of 2-[2-(ethylamino)-3-methoxypropyl]sulfanylpropan-1-ol (CID 107511551) is 2-[2-(ethylamino)-3-methoxypropyl]sulfanylpropan-1-ol.
What is the SMILES notation for 2-[2-(ethylamino)-3-methoxypropyl]sulfanylpropan-1-ol?
The canonical SMILES for 2-[2-(ethylamino)-3-methoxypropyl]sulfanylpropan-1-ol is CCNC(COC)CSC(C)CO.
What is the InChIKey of 2-[2-(ethylamino)-3-methoxypropyl]sulfanylpropan-1-ol?
The InChIKey is LVWDUDXLKANDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-10-9(6-12-3)7-13-8(2)5-11/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-[2-(ethylamino)-3-methoxypropyl]sulfanylpropan-1-ol?
2-[2-(ethylamino)-3-methoxypropyl]sulfanylpropan-1-ol has a molecular weight of 207.34 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-3-methoxypropyl]sulfanylpropan-1-ol is sourced from PubChem (CID 107511551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).