2-ethylsulfanyl-N-(2-ethylsulfanylpropyl)propan-1-amine

C10H23NS2 — CID 54310449

IUPAC2-ethylsulfanyl-N-(2-ethylsulfanylpropyl)propan-1-amine
SMILESCCSC(C)CNCC(C)SCC
InChIInChI=1S/C10H23NS2/c1-5-12-9(3)7-11-8-10(4)13-6-2/h9-11H,5-8H2,1-4H3
InChIKeyYMUZDWYNSDUPEZ-UHFFFAOYSA-N
MW221.43 g/mol
LogP2.86
Rot. Bonds8

About 2-ethylsulfanyl-N-(2-ethylsulfanylpropyl)propan-1-amine

2-ethylsulfanyl-N-(2-ethylsulfanylpropyl)propan-1-amine (PubChem CID 54310449) has the molecular formula C10H23NS2 and a molecular weight of 221.43 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(2-ethylsulfanylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(2-ethylsulfanylpropyl)propan-1-amine
PubChem CID54310449
Molecular FormulaC10H23NS2
Molecular Weight221.43 g/mol
Exact Mass221.13
IUPAC Name2-ethylsulfanyl-N-(2-ethylsulfanylpropyl)propan-1-amine
SMILESCCSC(C)CNCC(C)SCC
InChIInChI=1S/C10H23NS2/c1-5-12-9(3)7-11-8-10(4)13-6-2/h9-11H,5-8H2,1-4H3
InChIKeyYMUZDWYNSDUPEZ-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(2-ethylsulfanylpropyl)propan-1-amine?
The IUPAC name of 2-ethylsulfanyl-N-(2-ethylsulfanylpropyl)propan-1-amine (CID 54310449) is 2-ethylsulfanyl-N-(2-ethylsulfanylpropyl)propan-1-amine.
What is the SMILES notation for 2-ethylsulfanyl-N-(2-ethylsulfanylpropyl)propan-1-amine?
The canonical SMILES for 2-ethylsulfanyl-N-(2-ethylsulfanylpropyl)propan-1-amine is CCSC(C)CNCC(C)SCC.
What is the InChIKey of 2-ethylsulfanyl-N-(2-ethylsulfanylpropyl)propan-1-amine?
The InChIKey is YMUZDWYNSDUPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS2/c1-5-12-9(3)7-11-8-10(4)13-6-2/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-ethylsulfanyl-N-(2-ethylsulfanylpropyl)propan-1-amine?
2-ethylsulfanyl-N-(2-ethylsulfanylpropyl)propan-1-amine has a molecular weight of 221.43 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(2-ethylsulfanylpropyl)propan-1-amine is sourced from PubChem (CID 54310449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).