(2R)-4-(2-ethylsulfanylethyl)-2-propan-2-ylmorpholine

C11H23NOS — CID 97260572

IUPAC(2R)-4-(2-ethylsulfanylethyl)-2-propan-2-ylmorpholine
SMILESCCSCCN1CCO[C@H](C(C)C)C1
InChIInChI=1S/C11H23NOS/c1-4-14-8-6-12-5-7-13-11(9-12)10(2)3/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyVYGPNRPKAGSKJK-NSHDSACASA-N
MW217.38 g/mol
LogP2.10
Rot. Bonds5

About (2R)-4-(2-ethylsulfanylethyl)-2-propan-2-ylmorpholine

(2R)-4-(2-ethylsulfanylethyl)-2-propan-2-ylmorpholine (PubChem CID 97260572) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is (2R)-4-(2-ethylsulfanylethyl)-2-propan-2-ylmorpholine.

Molecular Properties

Compound Name(2R)-4-(2-ethylsulfanylethyl)-2-propan-2-ylmorpholine
PubChem CID97260572
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name(2R)-4-(2-ethylsulfanylethyl)-2-propan-2-ylmorpholine
SMILESCCSCCN1CCO[C@H](C(C)C)C1
InChIInChI=1S/C11H23NOS/c1-4-14-8-6-12-5-7-13-11(9-12)10(2)3/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyVYGPNRPKAGSKJK-NSHDSACASA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yl-4-propylmorpholine
CID 58468712
1-(4-propylmorpholin-2-yl)ethanamine
CID 79658084
(2R)-4-methyl-2-propan-2-ylmorpholine
CID 155242186
4-(2-bromoethyl)-2-propan-2-yl-1,4-oxazepane
CID 131183019
[4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine
CID 114395168
2-methyl-1-(2-propan-2-ylmorpholin-4-yl)propan-2-amine;hydrochloride
CID 120848835
1-[(2-propan-2-ylmorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 58468897
1-(2-ethylsulfanylethyl)azetidin-3-ol
CID 115773113
1-(4-propylmorpholin-2-yl)pentan-1-ol
CID 79668705
1-[4-(3-pyrrolidin-1-ylpropyl)morpholin-2-yl]ethanamine
CID 113285074
(2R)-4-ethyl-2-[(1R)-1-methoxyethyl]morpholine
CID 177158500
1,4,8,11-tetrakis(2-ethylsulfanylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 70181811

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-ethylsulfanylethyl)-2-propan-2-ylmorpholine?
The IUPAC name of (2R)-4-(2-ethylsulfanylethyl)-2-propan-2-ylmorpholine (CID 97260572) is (2R)-4-(2-ethylsulfanylethyl)-2-propan-2-ylmorpholine.
What is the SMILES notation for (2R)-4-(2-ethylsulfanylethyl)-2-propan-2-ylmorpholine?
The canonical SMILES for (2R)-4-(2-ethylsulfanylethyl)-2-propan-2-ylmorpholine is CCSCCN1CCO[C@H](C(C)C)C1.
What is the InChIKey of (2R)-4-(2-ethylsulfanylethyl)-2-propan-2-ylmorpholine?
The InChIKey is VYGPNRPKAGSKJK-NSHDSACASA-N. The full InChI is InChI=1S/C11H23NOS/c1-4-14-8-6-12-5-7-13-11(9-12)10(2)3/h10-11H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (2R)-4-(2-ethylsulfanylethyl)-2-propan-2-ylmorpholine?
(2R)-4-(2-ethylsulfanylethyl)-2-propan-2-ylmorpholine has a molecular weight of 217.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-ethylsulfanylethyl)-2-propan-2-ylmorpholine is sourced from PubChem (CID 97260572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).