N-(3-ethylsulfanylpropyl)-6-fluoropyridin-2-amine

C10H15FN2S — CID 116812922

IUPACN-(3-ethylsulfanylpropyl)-6-fluoropyridin-2-amine
SMILESCCSCCCNc1cccc(F)n1
InChIInChI=1S/C10H15FN2S/c1-2-14-8-4-7-12-10-6-3-5-9(11)13-10/h3,5-6H,2,4,7-8H2,1H3,(H,12,13)
InChIKeyQMGROZSUTCTXRN-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.78
Rot. Bonds6

About N-(3-ethylsulfanylpropyl)-6-fluoropyridin-2-amine

N-(3-ethylsulfanylpropyl)-6-fluoropyridin-2-amine (PubChem CID 116812922) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(3-ethylsulfanylpropyl)-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(3-ethylsulfanylpropyl)-6-fluoropyridin-2-amine
PubChem CID116812922
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC NameN-(3-ethylsulfanylpropyl)-6-fluoropyridin-2-amine
SMILESCCSCCCNc1cccc(F)n1
InChIInChI=1S/C10H15FN2S/c1-2-14-8-4-7-12-10-6-3-5-9(11)13-10/h3,5-6H,2,4,7-8H2,1H3,(H,12,13)
InChIKeyQMGROZSUTCTXRN-UHFFFAOYSA-N
XLogP2.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol
CID 103702970
N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine
CID 61228791
N-(3,3-difluoropropyl)-6-fluoropyridin-2-amine
CID 130610509
N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 61229371
6-fluoro-N-pent-3-ynylpyridin-2-amine
CID 106196296
5-[(6-fluoro-2-pyridinyl)amino]pentanamide
CID 106239975
N-(2-ethylbutyl)-6-fluoropyridin-2-amine
CID 75355438
2,6-dibromo-N-(3-ethylsulfanylpropyl)aniline
CID 107597741
6-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyridin-2-amine
CID 126990897
2-N,6-N-dipentylpyridine-2,6-diamine
CID 66709787
6-fluoro-N-prop-2-enylpyridin-2-amine
CID 103624863
6-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyridin-2-amine
CID 115663512

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylpropyl)-6-fluoropyridin-2-amine?
The IUPAC name of N-(3-ethylsulfanylpropyl)-6-fluoropyridin-2-amine (CID 116812922) is N-(3-ethylsulfanylpropyl)-6-fluoropyridin-2-amine.
What is the SMILES notation for N-(3-ethylsulfanylpropyl)-6-fluoropyridin-2-amine?
The canonical SMILES for N-(3-ethylsulfanylpropyl)-6-fluoropyridin-2-amine is CCSCCCNc1cccc(F)n1.
What is the InChIKey of N-(3-ethylsulfanylpropyl)-6-fluoropyridin-2-amine?
The InChIKey is QMGROZSUTCTXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2S/c1-2-14-8-4-7-12-10-6-3-5-9(11)13-10/h3,5-6H,2,4,7-8H2,1H3,(H,12,13).
What are the key properties of N-(3-ethylsulfanylpropyl)-6-fluoropyridin-2-amine?
N-(3-ethylsulfanylpropyl)-6-fluoropyridin-2-amine has a molecular weight of 214.31 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylpropyl)-6-fluoropyridin-2-amine is sourced from PubChem (CID 116812922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).