2-[2-(tert-butylamino)ethylsulfanyl]ethanol

C8H19NOS — CID 64614607

IUPAC2-[2-(tert-butylamino)ethylsulfanyl]ethanol
SMILESCC(C)(C)NCCSCCO
InChIInChI=1S/C8H19NOS/c1-8(2,3)9-4-6-11-7-5-10/h9-10H,4-7H2,1-3H3
InChIKeyCSBRCXBVFKDXDV-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.10
Rot. Bonds5

About 2-[2-(tert-butylamino)ethylsulfanyl]ethanol

2-[2-(tert-butylamino)ethylsulfanyl]ethanol (PubChem CID 64614607) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)ethylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-(tert-butylamino)ethylsulfanyl]ethanol
PubChem CID64614607
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name2-[2-(tert-butylamino)ethylsulfanyl]ethanol
SMILESCC(C)(C)NCCSCCO
InChIInChI=1S/C8H19NOS/c1-8(2,3)9-4-6-11-7-5-10/h9-10H,4-7H2,1-3H3
InChIKeyCSBRCXBVFKDXDV-UHFFFAOYSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(tert-butylamino)ethylsulfanyl]ethanol?
The IUPAC name of 2-[2-(tert-butylamino)ethylsulfanyl]ethanol (CID 64614607) is 2-[2-(tert-butylamino)ethylsulfanyl]ethanol.
What is the SMILES notation for 2-[2-(tert-butylamino)ethylsulfanyl]ethanol?
The canonical SMILES for 2-[2-(tert-butylamino)ethylsulfanyl]ethanol is CC(C)(C)NCCSCCO.
What is the InChIKey of 2-[2-(tert-butylamino)ethylsulfanyl]ethanol?
The InChIKey is CSBRCXBVFKDXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-8(2,3)9-4-6-11-7-5-10/h9-10H,4-7H2,1-3H3.
What are the key properties of 2-[2-(tert-butylamino)ethylsulfanyl]ethanol?
2-[2-(tert-butylamino)ethylsulfanyl]ethanol has a molecular weight of 177.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)ethylsulfanyl]ethanol is sourced from PubChem (CID 64614607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).