3-amino-4-methyl-2-phenylsulfanylpentan-1-ol

C12H19NOS — CID 114369992

IUPAC3-amino-4-methyl-2-phenylsulfanylpentan-1-ol
SMILESCC(C)C(N)C(CO)Sc1ccccc1
InChIInChI=1S/C12H19NOS/c1-9(2)12(13)11(8-14)15-10-6-4-3-5-7-10/h3-7,9,11-12,14H,8,13H2,1-2H3
InChIKeyCDDGVUISUSFVNZ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.12
Rot. Bonds5

About 3-amino-4-methyl-2-phenylsulfanylpentan-1-ol

3-amino-4-methyl-2-phenylsulfanylpentan-1-ol (PubChem CID 114369992) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-amino-4-methyl-2-phenylsulfanylpentan-1-ol.

Molecular Properties

Compound Name3-amino-4-methyl-2-phenylsulfanylpentan-1-ol
PubChem CID114369992
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name3-amino-4-methyl-2-phenylsulfanylpentan-1-ol
SMILESCC(C)C(N)C(CO)Sc1ccccc1
InChIInChI=1S/C12H19NOS/c1-9(2)12(13)11(8-14)15-10-6-4-3-5-7-10/h3-7,9,11-12,14H,8,13H2,1-2H3
InChIKeyCDDGVUISUSFVNZ-UHFFFAOYSA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(4-methoxyphenyl)sulfanyl-4-methylpentan-1-ol
CID 114370119
3-phenylsulfanylbutane-1,2,4-triol
CID 54001701
3-amino-2-(1H-indol-2-ylsulfanyl)-4-methylpentan-1-ol
CID 114370676
(2S,3R,4S)-2,6-dimethyl-4-phenylsulfanylheptane-1,3-diol
CID 101017386
3-amino-2-(3-methylphenyl)sulfanylbutan-1-ol
CID 64899617
3-amino-2-naphthalen-2-ylsulfanylbutan-1-ol
CID 64898105
(2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexan-1-ol
CID 10428506
3-amino-2-(3-bromophenyl)sulfanylbutan-1-ol
CID 64899184
[(2S)-butan-2-yl]sulfanylbenzene
CID 12812299
(3-methyl-1-nitrobutan-2-yl)sulfanylbenzene
CID 25208004
2-phenyl-2-phenylsulfanylethanol
CID 11264720
(2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol
CID 11243648

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-2-phenylsulfanylpentan-1-ol?
The IUPAC name of 3-amino-4-methyl-2-phenylsulfanylpentan-1-ol (CID 114369992) is 3-amino-4-methyl-2-phenylsulfanylpentan-1-ol.
What is the SMILES notation for 3-amino-4-methyl-2-phenylsulfanylpentan-1-ol?
The canonical SMILES for 3-amino-4-methyl-2-phenylsulfanylpentan-1-ol is CC(C)C(N)C(CO)Sc1ccccc1.
What is the InChIKey of 3-amino-4-methyl-2-phenylsulfanylpentan-1-ol?
The InChIKey is CDDGVUISUSFVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9(2)12(13)11(8-14)15-10-6-4-3-5-7-10/h3-7,9,11-12,14H,8,13H2,1-2H3.
What are the key properties of 3-amino-4-methyl-2-phenylsulfanylpentan-1-ol?
3-amino-4-methyl-2-phenylsulfanylpentan-1-ol has a molecular weight of 225.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-2-phenylsulfanylpentan-1-ol is sourced from PubChem (CID 114369992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).