2-[(1-amino-4-ethylsulfanylbutan-2-yl)amino]ethanol

C8H20N2OS — CID 116504150

IUPAC2-[(1-amino-4-ethylsulfanylbutan-2-yl)amino]ethanol
SMILESCCSCCC(CN)NCCO
InChIInChI=1S/C8H20N2OS/c1-2-12-6-3-8(7-9)10-4-5-11/h8,10-11H,2-7,9H2,1H3
InChIKeyYFFXPVPUCIBBRI-UHFFFAOYSA-N
MW192.33 g/mol
LogP0.04
Rot. Bonds8

About 2-[(1-amino-4-ethylsulfanylbutan-2-yl)amino]ethanol

2-[(1-amino-4-ethylsulfanylbutan-2-yl)amino]ethanol (PubChem CID 116504150) has the molecular formula C8H20N2OS and a molecular weight of 192.33 g/mol. Its IUPAC name is 2-[(1-amino-4-ethylsulfanylbutan-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-amino-4-ethylsulfanylbutan-2-yl)amino]ethanol
PubChem CID116504150
Molecular FormulaC8H20N2OS
Molecular Weight192.33 g/mol
Exact Mass192.13
IUPAC Name2-[(1-amino-4-ethylsulfanylbutan-2-yl)amino]ethanol
SMILESCCSCCC(CN)NCCO
InChIInChI=1S/C8H20N2OS/c1-2-12-6-3-8(7-9)10-4-5-11/h8,10-11H,2-7,9H2,1H3
InChIKeyYFFXPVPUCIBBRI-UHFFFAOYSA-N
XLogP0.04
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-[(1-amino-4-ethylsulfanylbutan-2-yl)amino]ethanol?
The IUPAC name of 2-[(1-amino-4-ethylsulfanylbutan-2-yl)amino]ethanol (CID 116504150) is 2-[(1-amino-4-ethylsulfanylbutan-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(1-amino-4-ethylsulfanylbutan-2-yl)amino]ethanol?
The canonical SMILES for 2-[(1-amino-4-ethylsulfanylbutan-2-yl)amino]ethanol is CCSCCC(CN)NCCO.
What is the InChIKey of 2-[(1-amino-4-ethylsulfanylbutan-2-yl)amino]ethanol?
The InChIKey is YFFXPVPUCIBBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2OS/c1-2-12-6-3-8(7-9)10-4-5-11/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 2-[(1-amino-4-ethylsulfanylbutan-2-yl)amino]ethanol?
2-[(1-amino-4-ethylsulfanylbutan-2-yl)amino]ethanol has a molecular weight of 192.33 g/mol, XLogP of 0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-4-ethylsulfanylbutan-2-yl)amino]ethanol is sourced from PubChem (CID 116504150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).