3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide

C10H22N2O2S — CID 106161648

IUPAC3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
SMILESCCNCCC(=O)NC(C)C(CO)SC
InChIInChI=1S/C10H22N2O2S/c1-4-11-6-5-10(14)12-8(2)9(7-13)15-3/h8-9,11,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyDFMSMOWSUMQWJO-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.21
Rot. Bonds8

About 3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide

3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide (PubChem CID 106161648) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
PubChem CID106161648
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
SMILESCCNCCC(=O)NC(C)C(CO)SC
InChIInChI=1S/C10H22N2O2S/c1-4-11-6-5-10(14)12-8(2)9(7-13)15-3/h8-9,11,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyDFMSMOWSUMQWJO-UHFFFAOYSA-N
XLogP0.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-hydroxypropyl)-3-(methylsulfanyl)propanamide hydrochloride
CID 154577109
2-amino-N-(3-hydroxypropyl)-N-methyl-3-(methylsulfanyl)propanamide hydrochloride
CID 165771304
4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide
CID 71914582
4,4,4-trifluoro-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]butanamide
CID 97068881
4,4,4-trifluoro-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]butanamide
CID 97068882
4,4,4-trifluoro-N-[(2S,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]butanamide
CID 97068883
4,4,4-trifluoro-N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]butanamide
CID 97068884
3,3,3-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103801368
2,2,3,3-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103867173
4,4,4-trifluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)butanamide
CID 109889216
2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpropanamide
CID 109928434
2-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-2-methylpropanamide
CID 109928552

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The IUPAC name of 3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide (CID 106161648) is 3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The canonical SMILES for 3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide is CCNCCC(=O)NC(C)C(CO)SC.
What is the InChIKey of 3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The InChIKey is DFMSMOWSUMQWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-4-11-6-5-10(14)12-8(2)9(7-13)15-3/h8-9,11,13H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide has a molecular weight of 234.36 g/mol, XLogP of 0.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide is sourced from PubChem (CID 106161648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).