3-propan-2-yl-1-(3-sulfanylbutyl)azetidin-3-ol

C10H21NOS — CID 91262000

IUPAC3-propan-2-yl-1-(3-sulfanylbutyl)azetidin-3-ol
SMILESCC(S)CCN1CC(O)(C(C)C)C1
InChIInChI=1S/C10H21NOS/c1-8(2)10(12)6-11(7-10)5-4-9(3)13/h8-9,12-13H,4-7H2,1-3H3
InChIKeyWVWXFXLZKJGOEU-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.40
Rot. Bonds4

About 3-propan-2-yl-1-(3-sulfanylbutyl)azetidin-3-ol

3-propan-2-yl-1-(3-sulfanylbutyl)azetidin-3-ol (PubChem CID 91262000) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-propan-2-yl-1-(3-sulfanylbutyl)azetidin-3-ol.

Molecular Properties

Compound Name3-propan-2-yl-1-(3-sulfanylbutyl)azetidin-3-ol
PubChem CID91262000
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-propan-2-yl-1-(3-sulfanylbutyl)azetidin-3-ol
SMILESCC(S)CCN1CC(O)(C(C)C)C1
InChIInChI=1S/C10H21NOS/c1-8(2)10(12)6-11(7-10)5-4-9(3)13/h8-9,12-13H,4-7H2,1-3H3
InChIKeyWVWXFXLZKJGOEU-UHFFFAOYSA-N
XLogP1.40
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(3-sulfanylbutyl)azetidin-3-ol?
The IUPAC name of 3-propan-2-yl-1-(3-sulfanylbutyl)azetidin-3-ol (CID 91262000) is 3-propan-2-yl-1-(3-sulfanylbutyl)azetidin-3-ol.
What is the SMILES notation for 3-propan-2-yl-1-(3-sulfanylbutyl)azetidin-3-ol?
The canonical SMILES for 3-propan-2-yl-1-(3-sulfanylbutyl)azetidin-3-ol is CC(S)CCN1CC(O)(C(C)C)C1.
What is the InChIKey of 3-propan-2-yl-1-(3-sulfanylbutyl)azetidin-3-ol?
The InChIKey is WVWXFXLZKJGOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(2)10(12)6-11(7-10)5-4-9(3)13/h8-9,12-13H,4-7H2,1-3H3.
What are the key properties of 3-propan-2-yl-1-(3-sulfanylbutyl)azetidin-3-ol?
3-propan-2-yl-1-(3-sulfanylbutyl)azetidin-3-ol has a molecular weight of 203.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(3-sulfanylbutyl)azetidin-3-ol is sourced from PubChem (CID 91262000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).