2-methyl-1-methylsulfanyl-3-(3-propylazetidin-1-yl)propan-2-ol

C11H23NOS — CID 106246329

IUPAC2-methyl-1-methylsulfanyl-3-(3-propylazetidin-1-yl)propan-2-ol
SMILESCCCC1CN(CC(C)(O)CSC)C1
InChIInChI=1S/C11H23NOS/c1-4-5-10-6-12(7-10)8-11(2,13)9-14-3/h10,13H,4-9H2,1-3H3
InChIKeyPQMOWXHLGFYMQP-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.83
Rot. Bonds6

About 2-methyl-1-methylsulfanyl-3-(3-propylazetidin-1-yl)propan-2-ol

2-methyl-1-methylsulfanyl-3-(3-propylazetidin-1-yl)propan-2-ol (PubChem CID 106246329) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-(3-propylazetidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-(3-propylazetidin-1-yl)propan-2-ol
PubChem CID106246329
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-methyl-1-methylsulfanyl-3-(3-propylazetidin-1-yl)propan-2-ol
SMILESCCCC1CN(CC(C)(O)CSC)C1
InChIInChI=1S/C11H23NOS/c1-4-5-10-6-12(7-10)8-11(2,13)9-14-3/h10,13H,4-9H2,1-3H3
InChIKeyPQMOWXHLGFYMQP-UHFFFAOYSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Propyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-ol
CID 116617474
2-Methyl-1-[3-(2-methylpropylsulfanyl)azetidin-1-yl]propan-2-ol
CID 146329370
1-[Ethyl-[2-(sulfanylmethyl)pentyl]amino]-2-methylpropan-2-ol
CID 80015580
2-Methyl-1-[methyl-[2-(sulfanylmethyl)pentyl]amino]propan-2-ol
CID 80016073
1-Methyl-3-(thian-4-yl)azetidin-3-ol
CID 83817741
3-(Azetidin-1-ylmethyl)thian-3-ol
CID 84732872
1-(3,3-Dimethylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246309
1-(3-Tert-butylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246311
2-Methyl-1-(3-methylazetidin-1-yl)-3-methylsulfanylpropan-2-ol
CID 106246320
1-(3,3-Dipropylazetidin-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246328
2-Methyl-1-methylsulfanyl-3-(3-propan-2-ylazetidin-1-yl)propan-2-ol
CID 106246330
2-Methyl-1-(2-methylazetidin-1-yl)-3-methylsulfanylpropan-2-ol
CID 106246336

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-(3-propylazetidin-1-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-(3-propylazetidin-1-yl)propan-2-ol (CID 106246329) is 2-methyl-1-methylsulfanyl-3-(3-propylazetidin-1-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-(3-propylazetidin-1-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-(3-propylazetidin-1-yl)propan-2-ol is CCCC1CN(CC(C)(O)CSC)C1.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-(3-propylazetidin-1-yl)propan-2-ol?
The InChIKey is PQMOWXHLGFYMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-4-5-10-6-12(7-10)8-11(2,13)9-14-3/h10,13H,4-9H2,1-3H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-(3-propylazetidin-1-yl)propan-2-ol?
2-methyl-1-methylsulfanyl-3-(3-propylazetidin-1-yl)propan-2-ol has a molecular weight of 217.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-(3-propylazetidin-1-yl)propan-2-ol is sourced from PubChem (CID 106246329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).