1-[2-(dipropylamino)ethoxy]ethanethiol

C10H23NOS — CID 142712929

IUPAC1-[2-(dipropylamino)ethoxy]ethanethiol
SMILESCCCN(CCC)CCOC(C)S
InChIInChI=1S/C10H23NOS/c1-4-6-11(7-5-2)8-9-12-10(3)13/h10,13H,4-9H2,1-3H3
InChIKeyOAPOFWYXECZUFN-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.40
Rot. Bonds8

About 1-[2-(dipropylamino)ethoxy]ethanethiol

1-[2-(dipropylamino)ethoxy]ethanethiol (PubChem CID 142712929) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 1-[2-(dipropylamino)ethoxy]ethanethiol.

Molecular Properties

Compound Name1-[2-(dipropylamino)ethoxy]ethanethiol
PubChem CID142712929
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name1-[2-(dipropylamino)ethoxy]ethanethiol
SMILESCCCN(CCC)CCOC(C)S
InChIInChI=1S/C10H23NOS/c1-4-6-11(7-5-2)8-9-12-10(3)13/h10,13H,4-9H2,1-3H3
InChIKeyOAPOFWYXECZUFN-UHFFFAOYSA-N
XLogP2.40
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
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-Morpholinopropane-2-thiol
CID 13049111
N,N-bis(2-propoxyethyl)-N-3-mercaptopropyl-methylammonium chloride
CID 87315580
3-(Morpholin-4-yl)propane-1-thiol
CID 12734118
2-[2-[Methyl(3,3,3-trifluoropropyl)amino]ethoxy]ethanethiol
CID 80016666
2-[2-[Propyl(2,2,2-trifluoroethyl)amino]ethoxy]ethanethiol
CID 80020442
2-[2-[Ethyl(2,2,2-trifluoroethyl)amino]ethoxy]ethanethiol
CID 80020678
2-(2-Pyrrolidin-1-ylethoxy)ethanethiol
CID 13808994
2-Methyl-1-morpholin-4-ylpropane-2-thiol
CID 15448991
4-(Morpholin-4-yl)butane-1-thiol
CID 17766767
2,6-Dimethyl-4-(2'-mercaptoethyl)-morpholine
CID 19607262
4-Methylmorpholine;propane-2-thiol
CID 20979567
2-[2-(Dimethylamino)ethoxy]ethanethiol
CID 45088229

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dipropylamino)ethoxy]ethanethiol?
The IUPAC name of 1-[2-(dipropylamino)ethoxy]ethanethiol (CID 142712929) is 1-[2-(dipropylamino)ethoxy]ethanethiol.
What is the SMILES notation for 1-[2-(dipropylamino)ethoxy]ethanethiol?
The canonical SMILES for 1-[2-(dipropylamino)ethoxy]ethanethiol is CCCN(CCC)CCOC(C)S.
What is the InChIKey of 1-[2-(dipropylamino)ethoxy]ethanethiol?
The InChIKey is OAPOFWYXECZUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-4-6-11(7-5-2)8-9-12-10(3)13/h10,13H,4-9H2,1-3H3.
What are the key properties of 1-[2-(dipropylamino)ethoxy]ethanethiol?
1-[2-(dipropylamino)ethoxy]ethanethiol has a molecular weight of 205.37 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dipropylamino)ethoxy]ethanethiol is sourced from PubChem (CID 142712929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).