(2S)-4-(2-tert-butylsulfanylethyl)-2-[(2R)-oxolan-2-yl]morpholine

C14H27NO2S — CID 124731119

IUPAC(2S)-4-(2-tert-butylsulfanylethyl)-2-[(2R)-oxolan-2-yl]morpholine
SMILESCC(C)(C)SCCN1CCO[C@H]([C@H]2CCCO2)C1
InChIInChI=1S/C14H27NO2S/c1-14(2,3)18-10-7-15-6-9-17-13(11-15)12-5-4-8-16-12/h12-13H,4-11H2,1-3H3/t12-,13+/m1/s1
InChIKeyIPUKZQGFDSUVQT-OLZOCXBDSA-N
MW273.44 g/mol
LogP2.40
Rot. Bonds4

About (2S)-4-(2-tert-butylsulfanylethyl)-2-[(2R)-oxolan-2-yl]morpholine

(2S)-4-(2-tert-butylsulfanylethyl)-2-[(2R)-oxolan-2-yl]morpholine (PubChem CID 124731119) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is (2S)-4-(2-tert-butylsulfanylethyl)-2-[(2R)-oxolan-2-yl]morpholine.

Molecular Properties

Compound Name(2S)-4-(2-tert-butylsulfanylethyl)-2-[(2R)-oxolan-2-yl]morpholine
PubChem CID124731119
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name(2S)-4-(2-tert-butylsulfanylethyl)-2-[(2R)-oxolan-2-yl]morpholine
SMILESCC(C)(C)SCCN1CCO[C@H]([C@H]2CCCO2)C1
InChIInChI=1S/C14H27NO2S/c1-14(2,3)18-10-7-15-6-9-17-13(11-15)12-5-4-8-16-12/h12-13H,4-11H2,1-3H3/t12-,13+/m1/s1
InChIKeyIPUKZQGFDSUVQT-OLZOCXBDSA-N
XLogP2.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-4-(2-tert-butylsulfanylethyl)-2-[(2R)-oxolan-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-3-[(2R)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]propan-1-one
CID 124776743
N-(2-tert-butylsulfanylethyl)-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
CID 100651761
1-(2-tert-butylsulfanylethyl)piperazine
CID 58842925
(2S)-2-amino-4-methylsulfanyl-1-[2-(oxolan-2-yl)morpholin-4-yl]butan-1-one
CID 119344999
(2R)-4-[[1-(2-methoxyethyl)cyclohexyl]methyl]-2-[(2R)-oxolan-2-yl]morpholine
CID 129430506
(2R)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 99832542
(2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 99832541
(2R)-4-[(2-chloro-5-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]morpholine
CID 124830182
N-[(3S)-1-(2-tert-butylsulfanylethyl)piperidin-3-yl]-2-methylpropanamide
CID 124845099
(2S)-4-[(2S)-2-(4-methoxyphenyl)propyl]-2-[(2R)-oxolan-2-yl]morpholine
CID 124845902
6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine
CID 118641587
2-(azetidin-3-yl)-4-propylmorpholine
CID 172596990

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-tert-butylsulfanylethyl)-2-[(2R)-oxolan-2-yl]morpholine?
The IUPAC name of (2S)-4-(2-tert-butylsulfanylethyl)-2-[(2R)-oxolan-2-yl]morpholine (CID 124731119) is (2S)-4-(2-tert-butylsulfanylethyl)-2-[(2R)-oxolan-2-yl]morpholine.
What is the SMILES notation for (2S)-4-(2-tert-butylsulfanylethyl)-2-[(2R)-oxolan-2-yl]morpholine?
The canonical SMILES for (2S)-4-(2-tert-butylsulfanylethyl)-2-[(2R)-oxolan-2-yl]morpholine is CC(C)(C)SCCN1CCO[C@H]([C@H]2CCCO2)C1.
What is the InChIKey of (2S)-4-(2-tert-butylsulfanylethyl)-2-[(2R)-oxolan-2-yl]morpholine?
The InChIKey is IPUKZQGFDSUVQT-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-14(2,3)18-10-7-15-6-9-17-13(11-15)12-5-4-8-16-12/h12-13H,4-11H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of (2S)-4-(2-tert-butylsulfanylethyl)-2-[(2R)-oxolan-2-yl]morpholine?
(2S)-4-(2-tert-butylsulfanylethyl)-2-[(2R)-oxolan-2-yl]morpholine has a molecular weight of 273.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-tert-butylsulfanylethyl)-2-[(2R)-oxolan-2-yl]morpholine is sourced from PubChem (CID 124731119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).