3-amino-2-(4-tert-butylphenyl)sulfanyl-4-methoxybutan-1-ol

C15H25NO2S — CID 114370278

IUPAC3-amino-2-(4-tert-butylphenyl)sulfanyl-4-methoxybutan-1-ol
SMILESCOCC(N)C(CO)Sc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO2S/c1-15(2,3)11-5-7-12(8-6-11)19-14(9-17)13(16)10-18-4/h5-8,13-14,17H,9-10,16H2,1-4H3
InChIKeyJVYXDKMDCGCEBS-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.41
Rot. Bonds6

About 3-amino-2-(4-tert-butylphenyl)sulfanyl-4-methoxybutan-1-ol

3-amino-2-(4-tert-butylphenyl)sulfanyl-4-methoxybutan-1-ol (PubChem CID 114370278) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-amino-2-(4-tert-butylphenyl)sulfanyl-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-tert-butylphenyl)sulfanyl-4-methoxybutan-1-ol
PubChem CID114370278
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name3-amino-2-(4-tert-butylphenyl)sulfanyl-4-methoxybutan-1-ol
SMILESCOCC(N)C(CO)Sc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO2S/c1-15(2,3)11-5-7-12(8-6-11)19-14(9-17)13(16)10-18-4/h5-8,13-14,17H,9-10,16H2,1-4H3
InChIKeyJVYXDKMDCGCEBS-UHFFFAOYSA-N
XLogP2.41
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(4-tert-butylphenyl)sulfanyl-5-methylhexan-1-ol
CID 114370279
3-amino-3-(4-tert-butylphenyl)sulfanyl-2-methylpropan-1-ol
CID 70031872
3-amino-4-methoxy-2-methylsulfanylbutan-1-ol
CID 114370505
3-amino-4-methoxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-ol
CID 114370036
3-amino-4-methoxy-2-quinazolin-4-ylsulfanylbutan-1-ol
CID 114370346
2-(4-tert-butylphenyl)sulfanyl-3-hydroxypropanoic acid
CID 60861617
3-amino-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-methoxybutan-1-ol
CID 114370485
2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one
CID 116594171
3-amino-2-[(3,5-dimethylphenyl)methylsulfanyl]-4-methoxybutan-1-ol
CID 114370687
3-amino-2-(4-nitrophenyl)sulfanylpentan-1-ol
CID 104842206
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
1-tert-butyl-4-[fluoro(fluoro)methyl]sulfanylbenzene
CID 172516417

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-tert-butylphenyl)sulfanyl-4-methoxybutan-1-ol?
The IUPAC name of 3-amino-2-(4-tert-butylphenyl)sulfanyl-4-methoxybutan-1-ol (CID 114370278) is 3-amino-2-(4-tert-butylphenyl)sulfanyl-4-methoxybutan-1-ol.
What is the SMILES notation for 3-amino-2-(4-tert-butylphenyl)sulfanyl-4-methoxybutan-1-ol?
The canonical SMILES for 3-amino-2-(4-tert-butylphenyl)sulfanyl-4-methoxybutan-1-ol is COCC(N)C(CO)Sc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-amino-2-(4-tert-butylphenyl)sulfanyl-4-methoxybutan-1-ol?
The InChIKey is JVYXDKMDCGCEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-15(2,3)11-5-7-12(8-6-11)19-14(9-17)13(16)10-18-4/h5-8,13-14,17H,9-10,16H2,1-4H3.
What are the key properties of 3-amino-2-(4-tert-butylphenyl)sulfanyl-4-methoxybutan-1-ol?
3-amino-2-(4-tert-butylphenyl)sulfanyl-4-methoxybutan-1-ol has a molecular weight of 283.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-tert-butylphenyl)sulfanyl-4-methoxybutan-1-ol is sourced from PubChem (CID 114370278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).