N-ethylsulfanyl-N-fluoromethanamine

C3H8FNS — CID 174195275

IUPACN-ethylsulfanyl-N-fluoromethanamine
SMILESCCSN(C)F
InChIInChI=1S/C3H8FNS/c1-3-6-5(2)4/h3H2,1-2H3
InChIKeyBSOGYABSFRXAGH-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.47
Rot. Bonds2

About N-ethylsulfanyl-N-fluoromethanamine

N-ethylsulfanyl-N-fluoromethanamine (PubChem CID 174195275) has the molecular formula C3H8FNS and a molecular weight of 109.17 g/mol. Its IUPAC name is N-ethylsulfanyl-N-fluoromethanamine.

Molecular Properties

Compound NameN-ethylsulfanyl-N-fluoromethanamine
PubChem CID174195275
Molecular FormulaC3H8FNS
Molecular Weight109.17 g/mol
Exact Mass109.04
IUPAC NameN-ethylsulfanyl-N-fluoromethanamine
SMILESCCSN(C)F
InChIInChI=1S/C3H8FNS/c1-3-6-5(2)4/h3H2,1-2H3
InChIKeyBSOGYABSFRXAGH-UHFFFAOYSA-N
XLogP1.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethylsulfanyl-N-fluoromethanamine?
The IUPAC name of N-ethylsulfanyl-N-fluoromethanamine (CID 174195275) is N-ethylsulfanyl-N-fluoromethanamine.
What is the SMILES notation for N-ethylsulfanyl-N-fluoromethanamine?
The canonical SMILES for N-ethylsulfanyl-N-fluoromethanamine is CCSN(C)F.
What is the InChIKey of N-ethylsulfanyl-N-fluoromethanamine?
The InChIKey is BSOGYABSFRXAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FNS/c1-3-6-5(2)4/h3H2,1-2H3.
What are the key properties of N-ethylsulfanyl-N-fluoromethanamine?
N-ethylsulfanyl-N-fluoromethanamine has a molecular weight of 109.17 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfanyl-N-fluoromethanamine is sourced from PubChem (CID 174195275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).