1-(furan-2-yl)-4-methylsulfanylbutan-2-amine

C9H15NOS — CID 105177500

IUPAC1-(furan-2-yl)-4-methylsulfanylbutan-2-amine
SMILESCSCCC(N)Cc1ccco1
InChIInChI=1S/C9H15NOS/c1-12-6-4-8(10)7-9-3-2-5-11-9/h2-3,5,8H,4,6-7,10H2,1H3
InChIKeySMIVZPFCEIASJH-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.90
Rot. Bonds5

About 1-(furan-2-yl)-4-methylsulfanylbutan-2-amine

1-(furan-2-yl)-4-methylsulfanylbutan-2-amine (PubChem CID 105177500) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-4-methylsulfanylbutan-2-amine
PubChem CID105177500
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name1-(furan-2-yl)-4-methylsulfanylbutan-2-amine
SMILESCSCCC(N)Cc1ccco1
InChIInChI=1S/C9H15NOS/c1-12-6-4-8(10)7-9-3-2-5-11-9/h2-3,5,8H,4,6-7,10H2,1H3
InChIKeySMIVZPFCEIASJH-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(furan-2-yl)butan-2-amine
CID 105177346
2-(2-methylsulfanylethyl)furan
CID 45489970
5-ethoxy-1-(furan-2-yl)pentan-2-amine
CID 105177455
(2S)-2-amino-N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbutanamide
CID 61154534
1-butan-2-ylsulfanyl-3-(furan-2-yl)propan-2-amine
CID 83175444
1-(furan-2-yl)pent-4-en-2-amine
CID 116660416
(3S)-3-amino-4-(furan-2-yl)butanoic acid
CID 2761693
4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine
CID 61077814
[1-(furan-2-yl)-3-methylsulfanylpropyl]hydrazine
CID 105306045
4-(furan-2-ylmethylsulfanyl)butan-2-amine
CID 64611326
(2S)-2-amino-1-[4-(furan-2-ylmethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one
CID 61165609
1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine
CID 105029349

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-4-methylsulfanylbutan-2-amine?
The IUPAC name of 1-(furan-2-yl)-4-methylsulfanylbutan-2-amine (CID 105177500) is 1-(furan-2-yl)-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-4-methylsulfanylbutan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-4-methylsulfanylbutan-2-amine is CSCCC(N)Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-4-methylsulfanylbutan-2-amine?
The InChIKey is SMIVZPFCEIASJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-12-6-4-8(10)7-9-3-2-5-11-9/h2-3,5,8H,4,6-7,10H2,1H3.
What are the key properties of 1-(furan-2-yl)-4-methylsulfanylbutan-2-amine?
1-(furan-2-yl)-4-methylsulfanylbutan-2-amine has a molecular weight of 185.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 105177500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).