2-[[4-(ethylamino)-2-pyridinyl]methylsulfanyl]ethanol

C10H16N2OS — CID 79259711

IUPAC2-[[4-(ethylamino)-2-pyridinyl]methylsulfanyl]ethanol
SMILESCCNc1ccnc(CSCCO)c1
InChIInChI=1S/C10H16N2OS/c1-2-11-9-3-4-12-10(7-9)8-14-6-5-13/h3-4,7,13H,2,5-6,8H2,1H3,(H,11,12)
InChIKeyVDBOGJFFAUWWCM-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.74
Rot. Bonds6

About 2-[[4-(ethylamino)-2-pyridinyl]methylsulfanyl]ethanol

2-[[4-(ethylamino)-2-pyridinyl]methylsulfanyl]ethanol (PubChem CID 79259711) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-[[4-(ethylamino)-2-pyridinyl]methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[[4-(ethylamino)-2-pyridinyl]methylsulfanyl]ethanol
PubChem CID79259711
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-[[4-(ethylamino)-2-pyridinyl]methylsulfanyl]ethanol
SMILESCCNc1ccnc(CSCCO)c1
InChIInChI=1S/C10H16N2OS/c1-2-11-9-3-4-12-10(7-9)8-14-6-5-13/h3-4,7,13H,2,5-6,8H2,1H3,(H,11,12)
InChIKeyVDBOGJFFAUWWCM-UHFFFAOYSA-N
XLogP1.74
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(butylsulfanylmethyl)-N-ethylpyridin-4-amine
CID 79260438
3-[[4-(ethylamino)-2-pyridinyl]methylsulfanyl]-2-methylpropan-1-ol
CID 79260088
3-[[4-(propylamino)-2-pyridinyl]methylsulfanyl]propan-1-ol
CID 79260360
2-(cyclopentylsulfanylmethyl)-N-ethylpyridin-4-amine
CID 79259813
2-(ethoxymethyl)-N-ethylpyridin-4-amine
CID 79251240
N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-4-amine
CID 103520170
[4-[[4-(ethylamino)-2-pyridinyl]methoxy]phenyl]methanol
CID 79260144
N-ethyl-2-[(5-methylpyrazol-1-yl)methyl]pyridin-4-amine
CID 79251899
2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine
CID 79259514
2-(pyrazin-2-ylmethylsulfanyl)ethanol
CID 43502622
N-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
CID 79260149
4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 63963789

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)-2-pyridinyl]methylsulfanyl]ethanol?
The IUPAC name of 2-[[4-(ethylamino)-2-pyridinyl]methylsulfanyl]ethanol (CID 79259711) is 2-[[4-(ethylamino)-2-pyridinyl]methylsulfanyl]ethanol.
What is the SMILES notation for 2-[[4-(ethylamino)-2-pyridinyl]methylsulfanyl]ethanol?
The canonical SMILES for 2-[[4-(ethylamino)-2-pyridinyl]methylsulfanyl]ethanol is CCNc1ccnc(CSCCO)c1.
What is the InChIKey of 2-[[4-(ethylamino)-2-pyridinyl]methylsulfanyl]ethanol?
The InChIKey is VDBOGJFFAUWWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-11-9-3-4-12-10(7-9)8-14-6-5-13/h3-4,7,13H,2,5-6,8H2,1H3,(H,11,12).
What are the key properties of 2-[[4-(ethylamino)-2-pyridinyl]methylsulfanyl]ethanol?
2-[[4-(ethylamino)-2-pyridinyl]methylsulfanyl]ethanol has a molecular weight of 212.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)-2-pyridinyl]methylsulfanyl]ethanol is sourced from PubChem (CID 79259711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).