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

C10H23NOS — CID 115665565

IUPAC1-[3-ethylsulfanylpropyl(methyl)amino]-2-methylpropan-2-ol
SMILESCCSCCCN(C)CC(C)(C)O
InChIInChI=1S/C10H23NOS/c1-5-13-8-6-7-11(4)9-10(2,3)12/h12H,5-9H2,1-4H3
InChIKeyAISQOIIZSYXCKR-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.83
Rot. Bonds7

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

1-[3-ethylsulfanylpropyl(methyl)amino]-2-methylpropan-2-ol (PubChem CID 115665565) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 1-[3-ethylsulfanylpropyl(methyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-ethylsulfanylpropyl(methyl)amino]-2-methylpropan-2-ol
PubChem CID115665565
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name1-[3-ethylsulfanylpropyl(methyl)amino]-2-methylpropan-2-ol
SMILESCCSCCCN(C)CC(C)(C)O
InChIInChI=1S/C10H23NOS/c1-5-13-8-6-7-11(4)9-10(2,3)12/h12H,5-9H2,1-4H3
InChIKeyAISQOIIZSYXCKR-UHFFFAOYSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.83
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-[3-ethylsulfanylpropyl(methyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-ethylsulfanylpropyl(methyl)amino]-2-methylpropan-2-ol (CID 115665565) is 1-[3-ethylsulfanylpropyl(methyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-ethylsulfanylpropyl(methyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-ethylsulfanylpropyl(methyl)amino]-2-methylpropan-2-ol is CCSCCCN(C)CC(C)(C)O.
What is the InChIKey of 1-[3-ethylsulfanylpropyl(methyl)amino]-2-methylpropan-2-ol?
The InChIKey is AISQOIIZSYXCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-5-13-8-6-7-11(4)9-10(2,3)12/h12H,5-9H2,1-4H3.
What are the key properties of 1-[3-ethylsulfanylpropyl(methyl)amino]-2-methylpropan-2-ol?
1-[3-ethylsulfanylpropyl(methyl)amino]-2-methylpropan-2-ol has a molecular weight of 205.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethylsulfanylpropyl(methyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 115665565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).