1-[ethyl(3-ethylsulfanylpropyl)amino]-2-methylpropan-2-ol

C11H25NOS — CID 115666835

IUPAC1-[ethyl(3-ethylsulfanylpropyl)amino]-2-methylpropan-2-ol
SMILESCCSCCCN(CC)CC(C)(C)O
InChIInChI=1S/C11H25NOS/c1-5-12(10-11(3,4)13)8-7-9-14-6-2/h13H,5-10H2,1-4H3
InChIKeyQHSSVQYWOXQPOP-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.22
Rot. Bonds8

About 1-[ethyl(3-ethylsulfanylpropyl)amino]-2-methylpropan-2-ol

1-[ethyl(3-ethylsulfanylpropyl)amino]-2-methylpropan-2-ol (PubChem CID 115666835) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 1-[ethyl(3-ethylsulfanylpropyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl(3-ethylsulfanylpropyl)amino]-2-methylpropan-2-ol
PubChem CID115666835
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name1-[ethyl(3-ethylsulfanylpropyl)amino]-2-methylpropan-2-ol
SMILESCCSCCCN(CC)CC(C)(C)O
InChIInChI=1S/C11H25NOS/c1-5-12(10-11(3,4)13)8-7-9-14-6-2/h13H,5-10H2,1-4H3
InChIKeyQHSSVQYWOXQPOP-UHFFFAOYSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
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 1-[ethyl(3-ethylsulfanylpropyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl(3-ethylsulfanylpropyl)amino]-2-methylpropan-2-ol (CID 115666835) is 1-[ethyl(3-ethylsulfanylpropyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl(3-ethylsulfanylpropyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl(3-ethylsulfanylpropyl)amino]-2-methylpropan-2-ol is CCSCCCN(CC)CC(C)(C)O.
What is the InChIKey of 1-[ethyl(3-ethylsulfanylpropyl)amino]-2-methylpropan-2-ol?
The InChIKey is QHSSVQYWOXQPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-5-12(10-11(3,4)13)8-7-9-14-6-2/h13H,5-10H2,1-4H3.
What are the key properties of 1-[ethyl(3-ethylsulfanylpropyl)amino]-2-methylpropan-2-ol?
1-[ethyl(3-ethylsulfanylpropyl)amino]-2-methylpropan-2-ol has a molecular weight of 219.39 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(3-ethylsulfanylpropyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 115666835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).