5-(2-methoxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C12H27NO2S — CID 64820822

IUPAC5-(2-methoxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCOCCSCCCC(C)(CO)NC(C)C
InChIInChI=1S/C12H27NO2S/c1-11(2)13-12(3,10-14)6-5-8-16-9-7-15-4/h11,13-14H,5-10H2,1-4H3
InChIKeyLIQWINMLADKDGU-UHFFFAOYSA-N
MW249.42 g/mol
LogP1.90
Rot. Bonds10

About 5-(2-methoxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

5-(2-methoxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64820822) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(2-methoxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64820822
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC Name5-(2-methoxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCOCCSCCCC(C)(CO)NC(C)C
InChIInChI=1S/C12H27NO2S/c1-11(2)13-12(3,10-14)6-5-8-16-9-7-15-4/h11,13-14H,5-10H2,1-4H3
InChIKeyLIQWINMLADKDGU-UHFFFAOYSA-N
XLogP1.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64807379
2-methyl-6-(3-methylbutylsulfanyl)-2-(propan-2-ylamino)hexan-1-ol
CID 107764918
6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64810830
5-(cyclopentylmethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64806135
5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811392
5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64828176
2-methyl-5-(4-methylphenyl)sulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64805318
5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811239
6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64806971
6-[1-methoxypropan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64826309
2-ethyl-5-(3-methoxypropylsulfanyl)-2-(propan-2-ylamino)pentanoic acid
CID 106807566
2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol
CID 64805299

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 5-(2-methoxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64820822) is 5-(2-methoxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(2-methoxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-(2-methoxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is COCCSCCCC(C)(CO)NC(C)C.
What is the InChIKey of 5-(2-methoxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is LIQWINMLADKDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-11(2)13-12(3,10-14)6-5-8-16-9-7-15-4/h11,13-14H,5-10H2,1-4H3.
What are the key properties of 5-(2-methoxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
5-(2-methoxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 249.42 g/mol, XLogP of 1.90, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64820822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).