4-(furan-2-ylmethylsulfanyl)butan-2-amine

C9H15NOS — CID 64611326

IUPAC4-(furan-2-ylmethylsulfanyl)butan-2-amine
SMILESCC(N)CCSCc1ccco1
InChIInChI=1S/C9H15NOS/c1-8(10)4-6-12-7-9-3-2-5-11-9/h2-3,5,8H,4,6-7,10H2,1H3
InChIKeyLIKCLGNILSMYPH-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.25
Rot. Bonds5

About 4-(furan-2-ylmethylsulfanyl)butan-2-amine

4-(furan-2-ylmethylsulfanyl)butan-2-amine (PubChem CID 64611326) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfanyl)butan-2-amine.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfanyl)butan-2-amine
PubChem CID64611326
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name4-(furan-2-ylmethylsulfanyl)butan-2-amine
SMILESCC(N)CCSCc1ccco1
InChIInChI=1S/C9H15NOS/c1-8(10)4-6-12-7-9-3-2-5-11-9/h2-3,5,8H,4,6-7,10H2,1H3
InChIKeyLIKCLGNILSMYPH-UHFFFAOYSA-N
XLogP2.25
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.25
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

methyl 2-amino-4-(furan-2-ylmethylsulfanyl)butanoate
CID 63034284
4-(furan-2-ylmethylsulfanyl)-2-(propan-2-ylamino)butanamide
CID 63034282
2-(3-aminobutylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 66234187
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methylbutan-2-amine
CID 62578853
N-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
CID 62577157
4-[(5-bromofuran-2-yl)methylsulfanyl]butan-2-amine
CID 66233049
1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 107524245
2-[2-(furan-2-ylmethylsulfanyl)ethyl]aniline
CID 62495920
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
ethyl 2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)butanoate
CID 63033737
1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 64610510
1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine
CID 62579053

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfanyl)butan-2-amine?
The IUPAC name of 4-(furan-2-ylmethylsulfanyl)butan-2-amine (CID 64611326) is 4-(furan-2-ylmethylsulfanyl)butan-2-amine.
What is the SMILES notation for 4-(furan-2-ylmethylsulfanyl)butan-2-amine?
The canonical SMILES for 4-(furan-2-ylmethylsulfanyl)butan-2-amine is CC(N)CCSCc1ccco1.
What is the InChIKey of 4-(furan-2-ylmethylsulfanyl)butan-2-amine?
The InChIKey is LIKCLGNILSMYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-8(10)4-6-12-7-9-3-2-5-11-9/h2-3,5,8H,4,6-7,10H2,1H3.
What are the key properties of 4-(furan-2-ylmethylsulfanyl)butan-2-amine?
4-(furan-2-ylmethylsulfanyl)butan-2-amine has a molecular weight of 185.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfanyl)butan-2-amine is sourced from PubChem (CID 64611326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).