6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol

C13H21NO2S — CID 107703997

IUPAC6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol
SMILESCOc1ccc(N)c(SCCCCCCO)c1
InChIInChI=1S/C13H21NO2S/c1-16-11-6-7-12(14)13(10-11)17-9-5-3-2-4-8-15/h6-7,10,15H,2-5,8-9,14H2,1H3
InChIKeyBHQOIVYRPSBRLM-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.92
Rot. Bonds8

About 6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol

6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol (PubChem CID 107703997) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol.

Molecular Properties

Compound Name6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol
PubChem CID107703997
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol
SMILESCOc1ccc(N)c(SCCCCCCO)c1
InChIInChI=1S/C13H21NO2S/c1-16-11-6-7-12(14)13(10-11)17-9-5-3-2-4-8-15/h6-7,10,15H,2-5,8-9,14H2,1H3
InChIKeyBHQOIVYRPSBRLM-UHFFFAOYSA-N
XLogP2.92
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(2-amino-5-chlorophenyl)sulfanylhexan-1-ol
CID 107704002
2-(2-fluoroethylsulfanyl)-4-methoxyaniline
CID 80693918
4-methoxy-2-(3-phenylpropylsulfanyl)aniline
CID 79519157
4-(6-hydroxyhexylsulfanyl)-7-methoxychromen-2-one
CID 164525432
4-(2-amino-5-methoxyphenyl)sulfanyl-N,N-diethylbutanamide
CID 79518808
5-(2-amino-5-methoxyphenoxy)pentan-1-ol
CID 102702306
1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol
CID 104643516
2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide
CID 79519027
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
CID 62229190
3-(2-amino-5-methoxyphenyl)sulfanyl-N-propan-2-ylpropanamide
CID 79518648
hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate
CID 79511407
3-(2-amino-5-methoxyphenyl)sulfanyl-2,2-dimethylpropanoic acid
CID 79630325

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol?
The IUPAC name of 6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol (CID 107703997) is 6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol.
What is the SMILES notation for 6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol?
The canonical SMILES for 6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol is COc1ccc(N)c(SCCCCCCO)c1.
What is the InChIKey of 6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol?
The InChIKey is BHQOIVYRPSBRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-16-11-6-7-12(14)13(10-11)17-9-5-3-2-4-8-15/h6-7,10,15H,2-5,8-9,14H2,1H3.
What are the key properties of 6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol?
6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol has a molecular weight of 255.38 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol is sourced from PubChem (CID 107703997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).