N-(2-fluorophenyl)sulfanyl-2-methylpropan-2-amine

C10H14FNS — CID 145089031

IUPACN-(2-fluorophenyl)sulfanyl-2-methylpropan-2-amine
SMILESCC(C)(C)NSc1ccccc1F
InChIInChI=1S/C10H14FNS/c1-10(2,3)12-13-9-7-5-4-6-8(9)11/h4-7,12H,1-3H3
InChIKeyAYYXKVSEJSLIEL-UHFFFAOYSA-N
MW199.29 g/mol
LogP3.22
Rot. Bonds2

About N-(2-fluorophenyl)sulfanyl-2-methylpropan-2-amine

N-(2-fluorophenyl)sulfanyl-2-methylpropan-2-amine (PubChem CID 145089031) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(2-fluorophenyl)sulfanyl-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)sulfanyl-2-methylpropan-2-amine
PubChem CID145089031
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC NameN-(2-fluorophenyl)sulfanyl-2-methylpropan-2-amine
SMILESCC(C)(C)NSc1ccccc1F
InChIInChI=1S/C10H14FNS/c1-10(2,3)12-13-9-7-5-4-6-8(9)11/h4-7,12H,1-3H3
InChIKeyAYYXKVSEJSLIEL-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 314059
N-tert-butyl-4-fluorobenzenesulfonamide
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N-tert-Butylbenzenesulfinimidoyl chloride
CID 11367903
4-fluoro-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide
CID 2807203
Ethylaminothiophenyl
CID 322452
N-tert-Butylbenzenesulfenamide
CID 11182990
N-tert-Butylbenzenesulfinamide
CID 12030202
N-phenylsulfanylpropan-2-amine
CID 12350746
N-phenylsulfanylbutan-1-amine
CID 13142425
N-phenylsulfanylpropan-1-amine
CID 14919612
N-tert-butyl-2,6-difluorobenzenesulfonamide
CID 2572437
N-tert-butyl-3,4-difluorobenzenesulfonamide
CID 8405621

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)sulfanyl-2-methylpropan-2-amine?
The IUPAC name of N-(2-fluorophenyl)sulfanyl-2-methylpropan-2-amine (CID 145089031) is N-(2-fluorophenyl)sulfanyl-2-methylpropan-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)sulfanyl-2-methylpropan-2-amine?
The canonical SMILES for N-(2-fluorophenyl)sulfanyl-2-methylpropan-2-amine is CC(C)(C)NSc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)sulfanyl-2-methylpropan-2-amine?
The InChIKey is AYYXKVSEJSLIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c1-10(2,3)12-13-9-7-5-4-6-8(9)11/h4-7,12H,1-3H3.
What are the key properties of N-(2-fluorophenyl)sulfanyl-2-methylpropan-2-amine?
N-(2-fluorophenyl)sulfanyl-2-methylpropan-2-amine has a molecular weight of 199.29 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)sulfanyl-2-methylpropan-2-amine is sourced from PubChem (CID 145089031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).