4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine

C11H18N2S — CID 66231916

IUPAC4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine
SMILESCC(N)CCSCCc1ccncc1
InChIInChI=1S/C11H18N2S/c1-10(12)4-8-14-9-5-11-2-6-13-7-3-11/h2-3,6-7,10H,4-5,8-9,12H2,1H3
InChIKeyGJRJMLBFUMKPQF-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.09
Rot. Bonds6

About 4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine

4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine (PubChem CID 66231916) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine.

Molecular Properties

Compound Name4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine
PubChem CID66231916
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine
SMILESCC(N)CCSCCc1ccncc1
InChIInChI=1S/C11H18N2S/c1-10(12)4-8-14-9-5-11-2-6-13-7-3-11/h2-3,6-7,10H,4-5,8-9,12H2,1H3
InChIKeyGJRJMLBFUMKPQF-UHFFFAOYSA-N
XLogP2.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-pyridin-4-ylbutan-2-amine;hydrobromide
CID 122657673
3-(2-pyridin-4-ylethylsulfanyl)propan-1-amine
CID 66219281
4-(2-ethylsulfanylethyl)pyridine
CID 2255980
4-[2-(3-ethoxypropylsulfanyl)ethyl]pyridine
CID 70847983
4-[2-[(2R)-butan-2-yl]sulfanylethyl]pyridine
CID 92969622
3-(2-pyridin-4-ylethylsulfanyl)propanal
CID 142108413
ethane;4-(2-methylsulfanylethyl)pyridine
CID 166136938
4-(2-benzylsulfanylethyl)pyridine chloride
CID 5351696
4-(2-phenylmethoxyethylsulfanyl)butan-2-amine
CID 130536966
1-pyridin-4-ylhexan-3-amine
CID 105080578
3-(2-pyridin-4-ylethylsulfanyl)propanoate
CID 7047441
(2S)-4-phenylbutan-2-amine
CID 6994564

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine?
The IUPAC name of 4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine (CID 66231916) is 4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine.
What is the SMILES notation for 4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine?
The canonical SMILES for 4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine is CC(N)CCSCCc1ccncc1.
What is the InChIKey of 4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine?
The InChIKey is GJRJMLBFUMKPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-10(12)4-8-14-9-5-11-2-6-13-7-3-11/h2-3,6-7,10H,4-5,8-9,12H2,1H3.
What are the key properties of 4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine?
4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine has a molecular weight of 210.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine is sourced from PubChem (CID 66231916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).