(2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C17H25NO2S — CID 99795365

IUPAC(2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCCCCS[C@@H](C)C(=O)N[C@@H]1CCCc2c(O)cccc21
InChIInChI=1S/C17H25NO2S/c1-3-4-11-21-12(2)17(20)18-15-9-5-8-14-13(15)7-6-10-16(14)19/h6-7,10,12,15,19H,3-5,8-9,11H2,1-2H3,(H,18,20)/t12-,15+/m0/s1
InChIKeyJKJLZAXOGMQOIL-SWLSCSKDSA-N
MW307.46 g/mol
LogP3.81
Rot. Bonds6

About (2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

(2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 99795365) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is (2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID99795365
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name(2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCCCCS[C@@H](C)C(=O)N[C@@H]1CCCc2c(O)cccc21
InChIInChI=1S/C17H25NO2S/c1-3-4-11-21-12(2)17(20)18-15-9-5-8-14-13(15)7-6-10-16(14)19/h6-7,10,12,15,19H,3-5,8-9,11H2,1-2H3,(H,18,20)/t12-,15+/m0/s1
InChIKeyJKJLZAXOGMQOIL-SWLSCSKDSA-N
XLogP3.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.81
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

ethyl (3S)-3-hydroxy-4-[[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-oxobutanoate
CID 124729299
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-2-ylsulfanylpropanamide
CID 71858360
N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(propan-2-ylsulfamoyl)benzamide
CID 126786285
N-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide
CID 99795342
N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide
CID 99795360
N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 126776325
2-butylsulfanyl-N-(4-hydroxycyclohexyl)propanamide
CID 110901065
(2R)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylacetamide
CID 99117467
N-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
CID 165486516
(2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide
CID 96538056
(2S)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 27143712
(4R)-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methoxy-4-methylazepane-1-carboxamide
CID 129358774

Frequently Asked Questions

What is the IUPAC name of (2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of (2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 99795365) is (2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for (2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for (2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is CCCCS[C@@H](C)C(=O)N[C@@H]1CCCc2c(O)cccc21.
What is the InChIKey of (2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is JKJLZAXOGMQOIL-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-3-4-11-21-12(2)17(20)18-15-9-5-8-14-13(15)7-6-10-16(14)19/h6-7,10,12,15,19H,3-5,8-9,11H2,1-2H3,(H,18,20)/t12-,15+/m0/s1.
What are the key properties of (2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
(2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 307.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 99795365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).