3-methyl-1-sulfanylazetidin-3-ol

C4H9NOS — CID 163918862

IUPAC3-methyl-1-sulfanylazetidin-3-ol
SMILESCC1(O)CN(S)C1
InChIInChI=1S/C4H9NOS/c1-4(6)2-5(7)3-4/h6-7H,2-3H2,1H3
InChIKeyQYRAQEHLVNBICB-UHFFFAOYSA-N
MW119.19 g/mol
LogP-0.10
Rot. Bonds

About 3-methyl-1-sulfanylazetidin-3-ol

3-methyl-1-sulfanylazetidin-3-ol (PubChem CID 163918862) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is 3-methyl-1-sulfanylazetidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-sulfanylazetidin-3-ol
PubChem CID163918862
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name3-methyl-1-sulfanylazetidin-3-ol
SMILESCC1(O)CN(S)C1
InChIInChI=1S/C4H9NOS/c1-4(6)2-5(7)3-4/h6-7H,2-3H2,1H3
InChIKeyQYRAQEHLVNBICB-UHFFFAOYSA-N
XLogP-0.10
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-1-sulfanylpyrrolidine
CID 143872157
3-methyl-1-propan-2-ylazetidin-3-ol
CID 58334516
1-(3-aminocyclopentyl)-3-methylazetidin-3-ol
CID 130905741
1-(2-hydroxycyclobutyl)-3-methylazetidin-3-ol
CID 126856761
3-methyl-1-propan-2-ylpiperidin-3-ol
CID 69087871
N,N-dimethyl-2-(3-methyl-1-sulfanylazetidin-3-yl)ethanamine
CID 178115894
CID 163574287
CID 163574287
1-(2-hydroxy-3-methylbutyl)-3-methylazetidin-3-ol
CID 130495517
4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one
CID 130847612
1-(2-methoxy-2-methylpropyl)-3-methylazetidin-3-ol
CID 131137557
1-(3-hydroxy-3-methylazetidin-1-yl)-3,3-dimethylbutan-2-one
CID 131181729
1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylazetidin-3-ol
CID 131182347

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-sulfanylazetidin-3-ol?
The IUPAC name of 3-methyl-1-sulfanylazetidin-3-ol (CID 163918862) is 3-methyl-1-sulfanylazetidin-3-ol.
What is the SMILES notation for 3-methyl-1-sulfanylazetidin-3-ol?
The canonical SMILES for 3-methyl-1-sulfanylazetidin-3-ol is CC1(O)CN(S)C1.
What is the InChIKey of 3-methyl-1-sulfanylazetidin-3-ol?
The InChIKey is QYRAQEHLVNBICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-4(6)2-5(7)3-4/h6-7H,2-3H2,1H3.
What are the key properties of 3-methyl-1-sulfanylazetidin-3-ol?
3-methyl-1-sulfanylazetidin-3-ol has a molecular weight of 119.19 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-sulfanylazetidin-3-ol is sourced from PubChem (CID 163918862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).