[6-[amino(methyl)amino]-2-ethylsulfanyl-3-fluorophenyl]methanol

C10H15FN2OS — CID 144830623

IUPAC[6-[amino(methyl)amino]-2-ethylsulfanyl-3-fluorophenyl]methanol
SMILESCCSc1c(F)ccc(N(C)N)c1CO
InChIInChI=1S/C10H15FN2OS/c1-3-15-10-7(6-14)9(13(2)12)5-4-8(10)11/h4-5,14H,3,6,12H2,1-2H3
InChIKeyJCYKGZBYLYXSKO-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.74
Rot. Bonds4

About [6-[amino(methyl)amino]-2-ethylsulfanyl-3-fluorophenyl]methanol

[6-[amino(methyl)amino]-2-ethylsulfanyl-3-fluorophenyl]methanol (PubChem CID 144830623) has the molecular formula C10H15FN2OS and a molecular weight of 230.31 g/mol. Its IUPAC name is [6-[amino(methyl)amino]-2-ethylsulfanyl-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[6-[amino(methyl)amino]-2-ethylsulfanyl-3-fluorophenyl]methanol
PubChem CID144830623
Molecular FormulaC10H15FN2OS
Molecular Weight230.31 g/mol
Exact Mass230.09
IUPAC Name[6-[amino(methyl)amino]-2-ethylsulfanyl-3-fluorophenyl]methanol
SMILESCCSc1c(F)ccc(N(C)N)c1CO
InChIInChI=1S/C10H15FN2OS/c1-3-15-10-7(6-14)9(13(2)12)5-4-8(10)11/h4-5,14H,3,6,12H2,1-2H3
InChIKeyJCYKGZBYLYXSKO-UHFFFAOYSA-N
XLogP1.74
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-[amino(methyl)amino]-2-ethylsulfanyl-3-fluorophenyl]methanol?
The IUPAC name of [6-[amino(methyl)amino]-2-ethylsulfanyl-3-fluorophenyl]methanol (CID 144830623) is [6-[amino(methyl)amino]-2-ethylsulfanyl-3-fluorophenyl]methanol.
What is the SMILES notation for [6-[amino(methyl)amino]-2-ethylsulfanyl-3-fluorophenyl]methanol?
The canonical SMILES for [6-[amino(methyl)amino]-2-ethylsulfanyl-3-fluorophenyl]methanol is CCSc1c(F)ccc(N(C)N)c1CO.
What is the InChIKey of [6-[amino(methyl)amino]-2-ethylsulfanyl-3-fluorophenyl]methanol?
The InChIKey is JCYKGZBYLYXSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2OS/c1-3-15-10-7(6-14)9(13(2)12)5-4-8(10)11/h4-5,14H,3,6,12H2,1-2H3.
What are the key properties of [6-[amino(methyl)amino]-2-ethylsulfanyl-3-fluorophenyl]methanol?
[6-[amino(methyl)amino]-2-ethylsulfanyl-3-fluorophenyl]methanol has a molecular weight of 230.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[amino(methyl)amino]-2-ethylsulfanyl-3-fluorophenyl]methanol is sourced from PubChem (CID 144830623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).