1-(azetidin-3-ylmethylsulfanyl)-2-methylpropan-2-ol

C8H17NOS — CID 66290916

IUPAC1-(azetidin-3-ylmethylsulfanyl)-2-methylpropan-2-ol
SMILESCC(C)(O)CSCC1CNC1
InChIInChI=1S/C8H17NOS/c1-8(2,10)6-11-5-7-3-9-4-7/h7,9-10H,3-6H2,1-2H3
InChIKeyNXKGCIDBKLLTIA-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.71
Rot. Bonds4

About 1-(azetidin-3-ylmethylsulfanyl)-2-methylpropan-2-ol

1-(azetidin-3-ylmethylsulfanyl)-2-methylpropan-2-ol (PubChem CID 66290916) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethylsulfanyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(azetidin-3-ylmethylsulfanyl)-2-methylpropan-2-ol
PubChem CID66290916
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name1-(azetidin-3-ylmethylsulfanyl)-2-methylpropan-2-ol
SMILESCC(C)(O)CSCC1CNC1
InChIInChI=1S/C8H17NOS/c1-8(2,10)6-11-5-7-3-9-4-7/h7,9-10H,3-6H2,1-2H3
InChIKeyNXKGCIDBKLLTIA-UHFFFAOYSA-N
XLogP0.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethylsulfanyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(azetidin-3-ylmethylsulfanyl)-2-methylpropan-2-ol (CID 66290916) is 1-(azetidin-3-ylmethylsulfanyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(azetidin-3-ylmethylsulfanyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(azetidin-3-ylmethylsulfanyl)-2-methylpropan-2-ol is CC(C)(O)CSCC1CNC1.
What is the InChIKey of 1-(azetidin-3-ylmethylsulfanyl)-2-methylpropan-2-ol?
The InChIKey is NXKGCIDBKLLTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-8(2,10)6-11-5-7-3-9-4-7/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 1-(azetidin-3-ylmethylsulfanyl)-2-methylpropan-2-ol?
1-(azetidin-3-ylmethylsulfanyl)-2-methylpropan-2-ol has a molecular weight of 175.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethylsulfanyl)-2-methylpropan-2-ol is sourced from PubChem (CID 66290916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).