1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine

C10H23NOS — CID 79574875

IUPAC1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(COCC)CSCC
InChIInChI=1S/C10H23NOS/c1-4-7-11-10(8-12-5-2)9-13-6-3/h10-11H,4-9H2,1-3H3
InChIKeySKUPKABKVLTPDK-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.14
Rot. Bonds9

About 1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine

1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine (PubChem CID 79574875) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine
PubChem CID79574875
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(COCC)CSCC
InChIInChI=1S/C10H23NOS/c1-4-7-11-10(8-12-5-2)9-13-6-3/h10-11H,4-9H2,1-3H3
InChIKeySKUPKABKVLTPDK-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-N-propylbutan-2-amine
CID 62040391
4-ethyl-1-ethylsulfanyl-N-propylhexan-2-amine
CID 82923156
1-ethoxy-4-ethyl-N-propylhexan-2-amine
CID 82922255
1-ethylsulfanyl-N-propylnonan-2-amine
CID 65128224
1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
CID 65128350
1-(1,3-dioxolan-2-yl)-3-ethoxy-N-propylpropan-2-amine
CID 103546950
4-ethoxy-1-propoxy-N-propylbutan-2-amine
CID 112688262
1-ethoxy-N-(2-ethylsulfanylethyl)-3-methylbutan-2-amine
CID 103275869
1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine
CID 79575196
1-[2-(dimethylamino)ethylsulfanyl]-3-methoxy-N-propylpropan-2-amine
CID 107511523
4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine
CID 105008032
1-hexoxy-N-propylbutan-2-amine
CID 62039776

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine (CID 79574875) is 1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine is CCCNC(COCC)CSCC.
What is the InChIKey of 1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine?
The InChIKey is SKUPKABKVLTPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-4-7-11-10(8-12-5-2)9-13-6-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine?
1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine has a molecular weight of 205.37 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 79574875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).