1-(2-methylsulfanylpropan-2-yloxy)-3-pyrrolidin-3-ylpropan-2-ol

C11H23NO2S — CID 146554150

IUPAC1-(2-methylsulfanylpropan-2-yloxy)-3-pyrrolidin-3-ylpropan-2-ol
SMILESCSC(C)(C)OCC(O)CC1CCNC1
InChIInChI=1S/C11H23NO2S/c1-11(2,15-3)14-8-10(13)6-9-4-5-12-7-9/h9-10,12-13H,4-8H2,1-3H3
InChIKeyFBSCWDSOQJDLEE-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.46
Rot. Bonds6

About 1-(2-methylsulfanylpropan-2-yloxy)-3-pyrrolidin-3-ylpropan-2-ol

1-(2-methylsulfanylpropan-2-yloxy)-3-pyrrolidin-3-ylpropan-2-ol (PubChem CID 146554150) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(2-methylsulfanylpropan-2-yloxy)-3-pyrrolidin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-methylsulfanylpropan-2-yloxy)-3-pyrrolidin-3-ylpropan-2-ol
PubChem CID146554150
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-(2-methylsulfanylpropan-2-yloxy)-3-pyrrolidin-3-ylpropan-2-ol
SMILESCSC(C)(C)OCC(O)CC1CCNC1
InChIInChI=1S/C11H23NO2S/c1-11(2,15-3)14-8-10(13)6-9-4-5-12-7-9/h9-10,12-13H,4-8H2,1-3H3
InChIKeyFBSCWDSOQJDLEE-UHFFFAOYSA-N
XLogP1.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol
CID 146334931
(2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol
CID 146397764
1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol
CID 104680602
3-ethoxy-3-oxo-2-(pyrrolidin-3-ylmethyl)propanoic acid
CID 70398135
(3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 94408814
3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol
CID 106938106
1-methoxy-3-[6-[(3S,4Z,6S)-6-methyl-6-(trifluoromethyl)octa-1,4-dien-3-yl]azocan-3-yl]propan-2-ol
CID 174009665
(3R)-3-(methylsulfanylmethyl)pyrrolidine
CID 90143250
3-(tert-butylsulfanylmethyl)pyrrolidine
CID 62371966
1-(2-pyrrolidin-3-ylethoxy)propan-2-ol
CID 106939109
(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 86331139
1-(4-methylphenoxy)-3-piperidin-4-ylpropan-2-ol
CID 135249199

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylpropan-2-yloxy)-3-pyrrolidin-3-ylpropan-2-ol?
The IUPAC name of 1-(2-methylsulfanylpropan-2-yloxy)-3-pyrrolidin-3-ylpropan-2-ol (CID 146554150) is 1-(2-methylsulfanylpropan-2-yloxy)-3-pyrrolidin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(2-methylsulfanylpropan-2-yloxy)-3-pyrrolidin-3-ylpropan-2-ol?
The canonical SMILES for 1-(2-methylsulfanylpropan-2-yloxy)-3-pyrrolidin-3-ylpropan-2-ol is CSC(C)(C)OCC(O)CC1CCNC1.
What is the InChIKey of 1-(2-methylsulfanylpropan-2-yloxy)-3-pyrrolidin-3-ylpropan-2-ol?
The InChIKey is FBSCWDSOQJDLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-11(2,15-3)14-8-10(13)6-9-4-5-12-7-9/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of 1-(2-methylsulfanylpropan-2-yloxy)-3-pyrrolidin-3-ylpropan-2-ol?
1-(2-methylsulfanylpropan-2-yloxy)-3-pyrrolidin-3-ylpropan-2-ol has a molecular weight of 233.38 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylpropan-2-yloxy)-3-pyrrolidin-3-ylpropan-2-ol is sourced from PubChem (CID 146554150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).