(4R)-4-(methylsulfanylmethyl)-1,3-oxazolidine

C5H11NOS — CID 150896334

IUPAC(4R)-4-(methylsulfanylmethyl)-1,3-oxazolidine
SMILESCSC[C@H]1COCN1
InChIInChI=1S/C5H11NOS/c1-8-3-5-2-7-4-6-5/h5-6H,2-4H2,1H3/t5-/m1/s1
InChIKeyKZBJVOSGFLIXGA-RXMQYKEDSA-N
MW133.22 g/mol
LogP0.30
Rot. Bonds2

About (4R)-4-(methylsulfanylmethyl)-1,3-oxazolidine

(4R)-4-(methylsulfanylmethyl)-1,3-oxazolidine (PubChem CID 150896334) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is (4R)-4-(methylsulfanylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(4R)-4-(methylsulfanylmethyl)-1,3-oxazolidine
PubChem CID150896334
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name(4R)-4-(methylsulfanylmethyl)-1,3-oxazolidine
SMILESCSC[C@H]1COCN1
InChIInChI=1S/C5H11NOS/c1-8-3-5-2-7-4-6-5/h5-6H,2-4H2,1H3/t5-/m1/s1
InChIKeyKZBJVOSGFLIXGA-RXMQYKEDSA-N
XLogP0.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1,3-oxazolidine;(4R)-4-methyl-1,3-oxazolidine
CID 161279411
4-benzyl-1,3-oxazolidine
CID 22719793
(4S)-4-(2,2-diphenylethyl)-1,3-oxazolidine
CID 135395681
(4R)-4-(methylsulfanylmethyl)azetidin-2-one
CID 20641349
4-(methoxymethyl)-1-oxa-3-azacyclododecane
CID 22084566
3-[(4-ethylphenyl)sulfanylmethyl]morpholine
CID 117034341
3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine
CID 117034338
(5S)-3,3-difluoro-5-(methylsulfanylmethyl)pyrrolidin-2-one
CID 174285479
3-(2-methylpropyl)morpholine
CID 20811826
3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine
CID 117034360
7-methyl-N-(1,3-oxazolidin-4-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 146394940
(4R)-4-(4-methylphenyl)-1,3-oxazolidine
CID 175884904

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(methylsulfanylmethyl)-1,3-oxazolidine?
The IUPAC name of (4R)-4-(methylsulfanylmethyl)-1,3-oxazolidine (CID 150896334) is (4R)-4-(methylsulfanylmethyl)-1,3-oxazolidine.
What is the SMILES notation for (4R)-4-(methylsulfanylmethyl)-1,3-oxazolidine?
The canonical SMILES for (4R)-4-(methylsulfanylmethyl)-1,3-oxazolidine is CSC[C@H]1COCN1.
What is the InChIKey of (4R)-4-(methylsulfanylmethyl)-1,3-oxazolidine?
The InChIKey is KZBJVOSGFLIXGA-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11NOS/c1-8-3-5-2-7-4-6-5/h5-6H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (4R)-4-(methylsulfanylmethyl)-1,3-oxazolidine?
(4R)-4-(methylsulfanylmethyl)-1,3-oxazolidine has a molecular weight of 133.22 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(methylsulfanylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 150896334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).