(2S)-N-(2-tert-butylsulfanylethyl)-2-ethoxypropanamide

C11H23NO2S — CID 95174714

IUPAC(2S)-N-(2-tert-butylsulfanylethyl)-2-ethoxypropanamide
SMILESCCO[C@@H](C)C(=O)NCCSC(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-6-14-9(2)10(13)12-7-8-15-11(3,4)5/h9H,6-8H2,1-5H3,(H,12,13)/t9-/m0/s1
InChIKeyHNJPOQYCQHIWPT-VIFPVBQESA-N
MW233.38 g/mol
LogP2.06
Rot. Bonds6

About (2S)-N-(2-tert-butylsulfanylethyl)-2-ethoxypropanamide

(2S)-N-(2-tert-butylsulfanylethyl)-2-ethoxypropanamide (PubChem CID 95174714) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is (2S)-N-(2-tert-butylsulfanylethyl)-2-ethoxypropanamide.

Molecular Properties

Compound Name(2S)-N-(2-tert-butylsulfanylethyl)-2-ethoxypropanamide
PubChem CID95174714
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name(2S)-N-(2-tert-butylsulfanylethyl)-2-ethoxypropanamide
SMILESCCO[C@@H](C)C(=O)NCCSC(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-6-14-9(2)10(13)12-7-8-15-11(3,4)5/h9H,6-8H2,1-5H3,(H,12,13)/t9-/m0/s1
InChIKeyHNJPOQYCQHIWPT-VIFPVBQESA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide
CID 28635088
(2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide
CID 94012025
(2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide
CID 28571801
N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43876130
(2S)-N-[3-(2-tert-butylsulfanylethylamino)-3-oxopropyl]-2-hydroxy-3,3-dimethylbutanamide
CID 58709671
ethyl N-[2-(2,3-dimethylbutan-2-ylsulfanyl)ethyl]carbamate
CID 20712463
(2R)-N-(2-tert-butylsulfanylethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100623528
4-ethoxy-2,2-dimethylpentan-3-one
CID 64540696
3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120701331
3-[2-tert-butylsulfanylethylcarbamoyl(methyl)amino]propanoic acid
CID 122000379
2-ethoxy-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111331443
4-[(2-tert-butylsulfanylacetyl)amino]-3-ethoxybutanoic acid
CID 114226857

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-tert-butylsulfanylethyl)-2-ethoxypropanamide?
The IUPAC name of (2S)-N-(2-tert-butylsulfanylethyl)-2-ethoxypropanamide (CID 95174714) is (2S)-N-(2-tert-butylsulfanylethyl)-2-ethoxypropanamide.
What is the SMILES notation for (2S)-N-(2-tert-butylsulfanylethyl)-2-ethoxypropanamide?
The canonical SMILES for (2S)-N-(2-tert-butylsulfanylethyl)-2-ethoxypropanamide is CCO[C@@H](C)C(=O)NCCSC(C)(C)C.
What is the InChIKey of (2S)-N-(2-tert-butylsulfanylethyl)-2-ethoxypropanamide?
The InChIKey is HNJPOQYCQHIWPT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23NO2S/c1-6-14-9(2)10(13)12-7-8-15-11(3,4)5/h9H,6-8H2,1-5H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-N-(2-tert-butylsulfanylethyl)-2-ethoxypropanamide?
(2S)-N-(2-tert-butylsulfanylethyl)-2-ethoxypropanamide has a molecular weight of 233.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-tert-butylsulfanylethyl)-2-ethoxypropanamide is sourced from PubChem (CID 95174714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).