4-ethylsulfanyl-2-N-morpholin-4-ylbutane-1,2-diamine

C10H23N3OS — CID 116504224

IUPAC4-ethylsulfanyl-2-N-morpholin-4-ylbutane-1,2-diamine
SMILESCCSCCC(CN)NN1CCOCC1
InChIInChI=1S/C10H23N3OS/c1-2-15-8-3-10(9-11)12-13-4-6-14-7-5-13/h10,12H,2-9,11H2,1H3
InChIKeyHIHBGOWFFOLYOB-UHFFFAOYSA-N
MW233.38 g/mol
LogP0.29
Rot. Bonds7

About 4-ethylsulfanyl-2-N-morpholin-4-ylbutane-1,2-diamine

4-ethylsulfanyl-2-N-morpholin-4-ylbutane-1,2-diamine (PubChem CID 116504224) has the molecular formula C10H23N3OS and a molecular weight of 233.38 g/mol. Its IUPAC name is 4-ethylsulfanyl-2-N-morpholin-4-ylbutane-1,2-diamine.

Molecular Properties

Compound Name4-ethylsulfanyl-2-N-morpholin-4-ylbutane-1,2-diamine
PubChem CID116504224
Molecular FormulaC10H23N3OS
Molecular Weight233.38 g/mol
Exact Mass233.16
IUPAC Name4-ethylsulfanyl-2-N-morpholin-4-ylbutane-1,2-diamine
SMILESCCSCCC(CN)NN1CCOCC1
InChIInChI=1S/C10H23N3OS/c1-2-15-8-3-10(9-11)12-13-4-6-14-7-5-13/h10,12H,2-9,11H2,1H3
InChIKeyHIHBGOWFFOLYOB-UHFFFAOYSA-N
XLogP0.29
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-2-N-morpholin-4-ylbutane-1,2-diamine?
The IUPAC name of 4-ethylsulfanyl-2-N-morpholin-4-ylbutane-1,2-diamine (CID 116504224) is 4-ethylsulfanyl-2-N-morpholin-4-ylbutane-1,2-diamine.
What is the SMILES notation for 4-ethylsulfanyl-2-N-morpholin-4-ylbutane-1,2-diamine?
The canonical SMILES for 4-ethylsulfanyl-2-N-morpholin-4-ylbutane-1,2-diamine is CCSCCC(CN)NN1CCOCC1.
What is the InChIKey of 4-ethylsulfanyl-2-N-morpholin-4-ylbutane-1,2-diamine?
The InChIKey is HIHBGOWFFOLYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3OS/c1-2-15-8-3-10(9-11)12-13-4-6-14-7-5-13/h10,12H,2-9,11H2,1H3.
What are the key properties of 4-ethylsulfanyl-2-N-morpholin-4-ylbutane-1,2-diamine?
4-ethylsulfanyl-2-N-morpholin-4-ylbutane-1,2-diamine has a molecular weight of 233.38 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2-N-morpholin-4-ylbutane-1,2-diamine is sourced from PubChem (CID 116504224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).