1-(3-ethylsulfanylazetidin-1-yl)-2-methylpropan-2-ol

C9H19NOS — CID 146329377

IUPAC1-(3-ethylsulfanylazetidin-1-yl)-2-methylpropan-2-ol
SMILESCCSC1CN(CC(C)(C)O)C1
InChIInChI=1S/C9H19NOS/c1-4-12-8-5-10(6-8)7-9(2,3)11/h8,11H,4-7H2,1-3H3
InChIKeyNURZUHFZKOOFER-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.19
Rot. Bonds4

About 1-(3-ethylsulfanylazetidin-1-yl)-2-methylpropan-2-ol

1-(3-ethylsulfanylazetidin-1-yl)-2-methylpropan-2-ol (PubChem CID 146329377) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 1-(3-ethylsulfanylazetidin-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-ethylsulfanylazetidin-1-yl)-2-methylpropan-2-ol
PubChem CID146329377
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name1-(3-ethylsulfanylazetidin-1-yl)-2-methylpropan-2-ol
SMILESCCSC1CN(CC(C)(C)O)C1
InChIInChI=1S/C9H19NOS/c1-4-12-8-5-10(6-8)7-9(2,3)11/h8,11H,4-7H2,1-3H3
InChIKeyNURZUHFZKOOFER-UHFFFAOYSA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-2-ol
CID 163850509
2-methyl-1-(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-2-ol
CID 123274995
2-methyl-1-(3-phenylazetidin-1-yl)propan-2-ol
CID 104549809
1-[3-(hydroxymethyl)-5-methylpiperidin-1-yl]-2-methylpropan-2-ol
CID 131123599
1-(2-hydroxy-2-methylpropyl)-4,4-dimethylpyrrolidin-3-ol
CID 126992519
1-(2-hydroxy-2-methylpropyl)piperidin-4-ol
CID 60886320
1-(2-ethylmorpholin-4-yl)-2-methylpropan-2-ol
CID 60885104
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylpropan-2-ol
CID 102934996
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-methylpropan-2-ol
CID 120761553
1-tert-butyl-4-ethylsulfanylpiperidine
CID 90326333
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-2-ol
CID 115277650
1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-2-ol
CID 63159462

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanylazetidin-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(3-ethylsulfanylazetidin-1-yl)-2-methylpropan-2-ol (CID 146329377) is 1-(3-ethylsulfanylazetidin-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-ethylsulfanylazetidin-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-ethylsulfanylazetidin-1-yl)-2-methylpropan-2-ol is CCSC1CN(CC(C)(C)O)C1.
What is the InChIKey of 1-(3-ethylsulfanylazetidin-1-yl)-2-methylpropan-2-ol?
The InChIKey is NURZUHFZKOOFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-4-12-8-5-10(6-8)7-9(2,3)11/h8,11H,4-7H2,1-3H3.
What are the key properties of 1-(3-ethylsulfanylazetidin-1-yl)-2-methylpropan-2-ol?
1-(3-ethylsulfanylazetidin-1-yl)-2-methylpropan-2-ol has a molecular weight of 189.32 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanylazetidin-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 146329377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).