4-amino-1-ethylsulfanyl-4-methylpentan-3-ol

C8H19NOS — CID 116504442

IUPAC4-amino-1-ethylsulfanyl-4-methylpentan-3-ol
SMILESCCSCCC(O)C(C)(C)N
InChIInChI=1S/C8H19NOS/c1-4-11-6-5-7(10)8(2,3)9/h7,10H,4-6,9H2,1-3H3
InChIKeySVIKLHRJDZZFAS-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.23
Rot. Bonds5

About 4-amino-1-ethylsulfanyl-4-methylpentan-3-ol

4-amino-1-ethylsulfanyl-4-methylpentan-3-ol (PubChem CID 116504442) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 4-amino-1-ethylsulfanyl-4-methylpentan-3-ol.

Molecular Properties

Compound Name4-amino-1-ethylsulfanyl-4-methylpentan-3-ol
PubChem CID116504442
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name4-amino-1-ethylsulfanyl-4-methylpentan-3-ol
SMILESCCSCCC(O)C(C)(C)N
InChIInChI=1S/C8H19NOS/c1-4-11-6-5-7(10)8(2,3)9/h7,10H,4-6,9H2,1-3H3
InChIKeySVIKLHRJDZZFAS-UHFFFAOYSA-N
XLogP1.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-ethylsulfanylhexan-3-ol
CID 116504800
3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide
CID 115740017
1-ethylsulfanyl-3,5,5-trimethylhexane
CID 19076963
2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid
CID 116504445
1-[1-(aminomethyl)cyclohexyl]-3-ethylsulfanylpropan-1-ol
CID 116505141
3-ethylsulfanyl-1-hydroxypropane-1-sulfonic acid
CID 103574069
4-ethylsulfanylbutane-1,2-diamine
CID 116503979
2-(2-ethylsulfanylethyl)propanedioic acid
CID 87754532
1-cyclopentyl-4-ethylsulfanylbutan-2-ol
CID 116504666
3-amino-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylpropanamide
CID 115740019
3-ethyl-1-ethylsulfanyl-4-methylpentane
CID 167199867
5-ethylsulfanyl-2-hydroxypentanamide
CID 141016967

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethylsulfanyl-4-methylpentan-3-ol?
The IUPAC name of 4-amino-1-ethylsulfanyl-4-methylpentan-3-ol (CID 116504442) is 4-amino-1-ethylsulfanyl-4-methylpentan-3-ol.
What is the SMILES notation for 4-amino-1-ethylsulfanyl-4-methylpentan-3-ol?
The canonical SMILES for 4-amino-1-ethylsulfanyl-4-methylpentan-3-ol is CCSCCC(O)C(C)(C)N.
What is the InChIKey of 4-amino-1-ethylsulfanyl-4-methylpentan-3-ol?
The InChIKey is SVIKLHRJDZZFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-4-11-6-5-7(10)8(2,3)9/h7,10H,4-6,9H2,1-3H3.
What are the key properties of 4-amino-1-ethylsulfanyl-4-methylpentan-3-ol?
4-amino-1-ethylsulfanyl-4-methylpentan-3-ol has a molecular weight of 177.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethylsulfanyl-4-methylpentan-3-ol is sourced from PubChem (CID 116504442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).