(4R)-4-amino-4-(2-tert-butylsulfanylphenyl)butan-1-ol

C14H23NOS — CID 171214909

IUPAC(4R)-4-amino-4-(2-tert-butylsulfanylphenyl)butan-1-ol
SMILESCC(C)(C)Sc1ccccc1[C@H](N)CCCO
InChIInChI=1S/C14H23NOS/c1-14(2,3)17-13-9-5-4-7-11(13)12(15)8-6-10-16/h4-5,7,9,12,16H,6,8,10,15H2,1-3H3/t12-/m1/s1
InChIKeyYLSPCKWWFPDHSQ-GFCCVEGCSA-N
MW253.41 g/mol
LogP3.35
Rot. Bonds5

About (4R)-4-amino-4-(2-tert-butylsulfanylphenyl)butan-1-ol

(4R)-4-amino-4-(2-tert-butylsulfanylphenyl)butan-1-ol (PubChem CID 171214909) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is (4R)-4-amino-4-(2-tert-butylsulfanylphenyl)butan-1-ol.

Molecular Properties

Compound Name(4R)-4-amino-4-(2-tert-butylsulfanylphenyl)butan-1-ol
PubChem CID171214909
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name(4R)-4-amino-4-(2-tert-butylsulfanylphenyl)butan-1-ol
SMILESCC(C)(C)Sc1ccccc1[C@H](N)CCCO
InChIInChI=1S/C14H23NOS/c1-14(2,3)17-13-9-5-4-7-11(13)12(15)8-6-10-16/h4-5,7,9,12,16H,6,8,10,15H2,1-3H3/t12-/m1/s1
InChIKeyYLSPCKWWFPDHSQ-GFCCVEGCSA-N
XLogP3.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-(2-tert-butylsulfanylphenyl)propan-1-ol;hydrochloride
CID 171234540
(1R)-1-(2-tert-butylsulfanylphenyl)butane-1,4-diamine
CID 171214856
(1S)-1-(2-tert-butylsulfanylphenyl)propane-1,3-diamine
CID 171234486
(1S)-1-(2-tert-butylsulfanylphenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171234529
(4S)-4-amino-4-(2-methylphenyl)butan-1-ol;hydrochloride
CID 171229471
(3S)-3-amino-3-(2-tert-butylsulfanylphenyl)propanenitrile;hydrochloride
CID 171260201
(1S,2R)-1-amino-1-(2-tert-butylsulfanylphenyl)propan-2-ol
CID 171271209
(4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride
CID 171217585
(1R)-1-(2-tert-butylsulfanylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171244579
3-[2-(1-aminopropyl)phenyl]sulfanylpropan-1-ol
CID 112678713
(1S,2R)-1-amino-1-(2-tert-butylsulfanylphenyl)-5-methylhexan-2-ol;hydrochloride
CID 171271234
(1S,2R)-1-amino-1-(2-tert-butylsulfanylphenyl)-3-methylbutan-2-ol
CID 171271221

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(2-tert-butylsulfanylphenyl)butan-1-ol?
The IUPAC name of (4R)-4-amino-4-(2-tert-butylsulfanylphenyl)butan-1-ol (CID 171214909) is (4R)-4-amino-4-(2-tert-butylsulfanylphenyl)butan-1-ol.
What is the SMILES notation for (4R)-4-amino-4-(2-tert-butylsulfanylphenyl)butan-1-ol?
The canonical SMILES for (4R)-4-amino-4-(2-tert-butylsulfanylphenyl)butan-1-ol is CC(C)(C)Sc1ccccc1[C@H](N)CCCO.
What is the InChIKey of (4R)-4-amino-4-(2-tert-butylsulfanylphenyl)butan-1-ol?
The InChIKey is YLSPCKWWFPDHSQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NOS/c1-14(2,3)17-13-9-5-4-7-11(13)12(15)8-6-10-16/h4-5,7,9,12,16H,6,8,10,15H2,1-3H3/t12-/m1/s1.
What are the key properties of (4R)-4-amino-4-(2-tert-butylsulfanylphenyl)butan-1-ol?
(4R)-4-amino-4-(2-tert-butylsulfanylphenyl)butan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(2-tert-butylsulfanylphenyl)butan-1-ol is sourced from PubChem (CID 171214909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).