(3-hydroxy-3-propylazetidin-1-yl)-(2-methylthiolan-2-yl)methanone

C12H21NO2S — CID 81450881

IUPAC(3-hydroxy-3-propylazetidin-1-yl)-(2-methylthiolan-2-yl)methanone
SMILESCCCC1(O)CN(C(=O)C2(C)CCCS2)C1
InChIInChI=1S/C12H21NO2S/c1-3-5-12(15)8-13(9-12)10(14)11(2)6-4-7-16-11/h15H,3-9H2,1-2H3
InChIKeyQPXBBQGTCPSLRD-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.65
Rot. Bonds3

About (3-hydroxy-3-propylazetidin-1-yl)-(2-methylthiolan-2-yl)methanone

(3-hydroxy-3-propylazetidin-1-yl)-(2-methylthiolan-2-yl)methanone (PubChem CID 81450881) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is (3-hydroxy-3-propylazetidin-1-yl)-(2-methylthiolan-2-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-propylazetidin-1-yl)-(2-methylthiolan-2-yl)methanone
PubChem CID81450881
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name(3-hydroxy-3-propylazetidin-1-yl)-(2-methylthiolan-2-yl)methanone
SMILESCCCC1(O)CN(C(=O)C2(C)CCCS2)C1
InChIInChI=1S/C12H21NO2S/c1-3-5-12(15)8-13(9-12)10(14)11(2)6-4-7-16-11/h15H,3-9H2,1-2H3
InChIKeyQPXBBQGTCPSLRD-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylthiolane-2-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 81452100
(1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219940
(3-fluoroazetidin-1-yl)-(2-methylthiolan-2-yl)methanone
CID 130634407
[3-(chloromethyl)azetidin-1-yl]-(2-methylthiolan-2-yl)methanone
CID 130531426
[1-(aminomethyl)cyclobutyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219838
2-(1-aminocyclobutyl)-1-(3-hydroxy-3-propylazetidin-1-yl)ethanone
CID 107219978
1-(2-methylthiolane-2-carbonyl)piperidin-4-one
CID 81451371
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone
CID 81002095
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methylthiolan-2-yl)methanone
CID 82701555
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylthiolan-2-yl)methanone
CID 81452756
2-methyl-1-(2-methylthiolan-2-yl)pentan-1-one
CID 81451959
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone
CID 102937414

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-propylazetidin-1-yl)-(2-methylthiolan-2-yl)methanone?
The IUPAC name of (3-hydroxy-3-propylazetidin-1-yl)-(2-methylthiolan-2-yl)methanone (CID 81450881) is (3-hydroxy-3-propylazetidin-1-yl)-(2-methylthiolan-2-yl)methanone.
What is the SMILES notation for (3-hydroxy-3-propylazetidin-1-yl)-(2-methylthiolan-2-yl)methanone?
The canonical SMILES for (3-hydroxy-3-propylazetidin-1-yl)-(2-methylthiolan-2-yl)methanone is CCCC1(O)CN(C(=O)C2(C)CCCS2)C1.
What is the InChIKey of (3-hydroxy-3-propylazetidin-1-yl)-(2-methylthiolan-2-yl)methanone?
The InChIKey is QPXBBQGTCPSLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-3-5-12(15)8-13(9-12)10(14)11(2)6-4-7-16-11/h15H,3-9H2,1-2H3.
What are the key properties of (3-hydroxy-3-propylazetidin-1-yl)-(2-methylthiolan-2-yl)methanone?
(3-hydroxy-3-propylazetidin-1-yl)-(2-methylthiolan-2-yl)methanone has a molecular weight of 243.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-propylazetidin-1-yl)-(2-methylthiolan-2-yl)methanone is sourced from PubChem (CID 81450881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).