(4R)-3-benzyl-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine

C14H21NOS — CID 11172777

IUPAC(4R)-3-benzyl-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine
SMILESCSC[C@H]1COC(C)(C)N1Cc1ccccc1
InChIInChI=1S/C14H21NOS/c1-14(2)15(13(10-16-14)11-17-3)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m1/s1
InChIKeyNJOXJEPEWNQICB-CYBMUJFWSA-N
MW251.40 g/mol
LogP2.99
Rot. Bonds4

About (4R)-3-benzyl-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine

(4R)-3-benzyl-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine (PubChem CID 11172777) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is (4R)-3-benzyl-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(4R)-3-benzyl-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine
PubChem CID11172777
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name(4R)-3-benzyl-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine
SMILESCSC[C@H]1COC(C)(C)N1Cc1ccccc1
InChIInChI=1S/C14H21NOS/c1-14(2)15(13(10-16-14)11-17-3)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m1/s1
InChIKeyNJOXJEPEWNQICB-CYBMUJFWSA-N
XLogP2.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-3-benzyl-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine with MolForge

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Related Compounds

(5R)-4-benzyl-5-(chloromethyl)-2,2-dimethylmorpholine
CID 155289958
4-[(benzylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 71255191
benzyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14633851
benzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
CID 11002753
N'-[2-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethyl]oxamide
CID 174407433
benzyl 4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67079773
(7R)-8-benzyl-7-propan-2-yl-2,5-dioxa-8-azaspiro[3.4]octane
CID 99770557
[2-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-oxoethyl] benzenesulfinate
CID 59034679
3-[(2R,4S)-3-benzyl-2-methyl-2-pyridin-4-yl-1,3-oxazolidin-4-yl]propanenitrile
CID 100950304
(8-benzyl-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol
CID 70588218
tert-butyl (4S)-2,2-dimethyl-4-[(2S)-3-oxo-2-phenylmethoxypropyl]-1,3-oxazolidine-3-carboxylate
CID 146169722
9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-amine
CID 82666438

Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzyl-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine?
The IUPAC name of (4R)-3-benzyl-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine (CID 11172777) is (4R)-3-benzyl-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine.
What is the SMILES notation for (4R)-3-benzyl-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine?
The canonical SMILES for (4R)-3-benzyl-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine is CSC[C@H]1COC(C)(C)N1Cc1ccccc1.
What is the InChIKey of (4R)-3-benzyl-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine?
The InChIKey is NJOXJEPEWNQICB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NOS/c1-14(2)15(13(10-16-14)11-17-3)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (4R)-3-benzyl-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine?
(4R)-3-benzyl-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine has a molecular weight of 251.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzyl-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 11172777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).