N-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide

C15H31NO2S — CID 103801257

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide
SMILESCCCCCCCCCC(=O)NC(C)C(CO)SC
InChIInChI=1S/C15H31NO2S/c1-4-5-6-7-8-9-10-11-15(18)16-13(2)14(12-17)19-3/h13-14,17H,4-12H2,1-3H3,(H,16,18)
InChIKeyMJWJUTBKEFKXIT-UHFFFAOYSA-N
MW289.49 g/mol
LogP3.36
Rot. Bonds12

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide (PubChem CID 103801257) has the molecular formula C15H31NO2S and a molecular weight of 289.49 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide
PubChem CID103801257
Molecular FormulaC15H31NO2S
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide
SMILESCCCCCCCCCC(=O)NC(C)C(CO)SC
InChIInChI=1S/C15H31NO2S/c1-4-5-6-7-8-9-10-11-15(18)16-13(2)14(12-17)19-3/h13-14,17H,4-12H2,1-3H3,(H,16,18)
InChIKeyMJWJUTBKEFKXIT-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-3-methylbutan-2-yl)decanamide
CID 115770870
3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 106161648
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
N-(1,3-dihydroxypropan-2-yl)tridecanamide
CID 87498301
N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide
CID 21299171
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79252664
N-[(2R)-1-hydroxy-3-methyloctadecan-2-yl]hexadecanamide
CID 90449017
(2S)-2-(heptanoylamino)propanoic acid
CID 59127847
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide
CID 103801268
N-(1,1-dimethoxypropan-2-yl)nonanamide
CID 65448217
N-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexacosanamide
CID 73242205
N-pentan-2-ylundecanamide
CID 173258559

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide (CID 103801257) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide is CCCCCCCCCC(=O)NC(C)C(CO)SC.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide?
The InChIKey is MJWJUTBKEFKXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-4-5-6-7-8-9-10-11-15(18)16-13(2)14(12-17)19-3/h13-14,17H,4-12H2,1-3H3,(H,16,18).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide has a molecular weight of 289.49 g/mol, XLogP of 3.36, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide is sourced from PubChem (CID 103801257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).