6-amino-2-methyl-2-phenylsulfanylhexan-3-ol

C13H21NOS — CID 11218661

IUPAC6-amino-2-methyl-2-phenylsulfanylhexan-3-ol
SMILESCC(C)(Sc1ccccc1)C(O)CCCN
InChIInChI=1S/C13H21NOS/c1-13(2,12(15)9-6-10-14)16-11-7-4-3-5-8-11/h3-5,7-8,12,15H,6,9-10,14H2,1-2H3
InChIKeyAJJSQUIWQDEUHY-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.66
Rot. Bonds6

About 6-amino-2-methyl-2-phenylsulfanylhexan-3-ol

6-amino-2-methyl-2-phenylsulfanylhexan-3-ol (PubChem CID 11218661) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 6-amino-2-methyl-2-phenylsulfanylhexan-3-ol.

Molecular Properties

Compound Name6-amino-2-methyl-2-phenylsulfanylhexan-3-ol
PubChem CID11218661
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name6-amino-2-methyl-2-phenylsulfanylhexan-3-ol
SMILESCC(C)(Sc1ccccc1)C(O)CCCN
InChIInChI=1S/C13H21NOS/c1-13(2,12(15)9-6-10-14)16-11-7-4-3-5-8-11/h3-5,7-8,12,15H,6,9-10,14H2,1-2H3
InChIKeyAJJSQUIWQDEUHY-UHFFFAOYSA-N
XLogP2.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-2-phenylthio-2-propanol
CID 113732
(2R)-4-methyl-4-phenylsulfanylpentan-2-ol
CID 15307804
1-Amino-4-(2-fluorophenyl)sulfanyl-2-methylpentan-2-ol
CID 64812157
1-Amino-5-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol
CID 64814874
1-Amino-4-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol
CID 64815079
1-Amino-5-(2-fluorophenyl)sulfanyl-2-methylpentan-2-ol
CID 64815278
3-(Aminomethyl)-3-(3-fluorophenyl)sulfanylcyclobutan-1-ol
CID 66071825
3-(Aminomethyl)-3-(4-fluorophenyl)sulfanylcyclobutan-1-ol
CID 66073225
3-(Aminomethyl)-3-(2-fluorophenyl)sulfanylcyclobutan-1-ol
CID 66097206
1-Amino-5-(3-fluorophenyl)sulfanyl-2-methylpentan-2-ol
CID 80059735
1-Amino-4-(3-fluorophenyl)sulfanyl-2-methylpentan-2-ol
CID 80060014
3-Amino-4-phenylsulfanylbutan-2-ol
CID 17857482

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-2-phenylsulfanylhexan-3-ol?
The IUPAC name of 6-amino-2-methyl-2-phenylsulfanylhexan-3-ol (CID 11218661) is 6-amino-2-methyl-2-phenylsulfanylhexan-3-ol.
What is the SMILES notation for 6-amino-2-methyl-2-phenylsulfanylhexan-3-ol?
The canonical SMILES for 6-amino-2-methyl-2-phenylsulfanylhexan-3-ol is CC(C)(Sc1ccccc1)C(O)CCCN.
What is the InChIKey of 6-amino-2-methyl-2-phenylsulfanylhexan-3-ol?
The InChIKey is AJJSQUIWQDEUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-13(2,12(15)9-6-10-14)16-11-7-4-3-5-8-11/h3-5,7-8,12,15H,6,9-10,14H2,1-2H3.
What are the key properties of 6-amino-2-methyl-2-phenylsulfanylhexan-3-ol?
6-amino-2-methyl-2-phenylsulfanylhexan-3-ol has a molecular weight of 239.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-2-phenylsulfanylhexan-3-ol is sourced from PubChem (CID 11218661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).