2-(cyclopropylamino)-6-(2-fluorophenyl)sulfanyl-2-methylhexan-1-ol

C16H24FNOS — CID 64806153

IUPAC2-(cyclopropylamino)-6-(2-fluorophenyl)sulfanyl-2-methylhexan-1-ol
SMILESCC(CO)(CCCCSc1ccccc1F)NC1CC1
InChIInChI=1S/C16H24FNOS/c1-16(12-19,18-13-8-9-13)10-4-5-11-20-15-7-3-2-6-14(15)17/h2-3,6-7,13,18-19H,4-5,8-12H2,1H3
InChIKeyUSEUTGUQYMSHQV-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.59
Rot. Bonds9

About 2-(cyclopropylamino)-6-(2-fluorophenyl)sulfanyl-2-methylhexan-1-ol

2-(cyclopropylamino)-6-(2-fluorophenyl)sulfanyl-2-methylhexan-1-ol (PubChem CID 64806153) has the molecular formula C16H24FNOS and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-(2-fluorophenyl)sulfanyl-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-(2-fluorophenyl)sulfanyl-2-methylhexan-1-ol
PubChem CID64806153
Molecular FormulaC16H24FNOS
Molecular Weight297.44 g/mol
Exact Mass297.16
IUPAC Name2-(cyclopropylamino)-6-(2-fluorophenyl)sulfanyl-2-methylhexan-1-ol
SMILESCC(CO)(CCCCSc1ccccc1F)NC1CC1
InChIInChI=1S/C16H24FNOS/c1-16(12-19,18-13-8-9-13)10-4-5-11-20-15-7-3-2-6-14(15)17/h2-3,6-7,13,18-19H,4-5,8-12H2,1H3
InChIKeyUSEUTGUQYMSHQV-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.59
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

(1S)-2-[(4-fluorophenyl)-dimethyl-lambda4-sulfanyl]-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155010649
1-(Cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 43166334
1-(2-Fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
CID 43166335
1-(Cyclopropylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 43166355
1-(4-Fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
CID 43166356
3-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61245322
3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61245785
3-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61246189
2-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246337
2-(2,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246501
2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246795
2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61247211

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-6-(2-fluorophenyl)sulfanyl-2-methylhexan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-6-(2-fluorophenyl)sulfanyl-2-methylhexan-1-ol (CID 64806153) is 2-(cyclopropylamino)-6-(2-fluorophenyl)sulfanyl-2-methylhexan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-6-(2-fluorophenyl)sulfanyl-2-methylhexan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-6-(2-fluorophenyl)sulfanyl-2-methylhexan-1-ol is CC(CO)(CCCCSc1ccccc1F)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-6-(2-fluorophenyl)sulfanyl-2-methylhexan-1-ol?
The InChIKey is USEUTGUQYMSHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNOS/c1-16(12-19,18-13-8-9-13)10-4-5-11-20-15-7-3-2-6-14(15)17/h2-3,6-7,13,18-19H,4-5,8-12H2,1H3.
What are the key properties of 2-(cyclopropylamino)-6-(2-fluorophenyl)sulfanyl-2-methylhexan-1-ol?
2-(cyclopropylamino)-6-(2-fluorophenyl)sulfanyl-2-methylhexan-1-ol has a molecular weight of 297.44 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-(2-fluorophenyl)sulfanyl-2-methylhexan-1-ol is sourced from PubChem (CID 64806153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).