3-(2-methylfuran-3-yl)sulfanylpentan-1-amine

C10H17NOS — CID 107781103

IUPAC3-(2-methylfuran-3-yl)sulfanylpentan-1-amine
SMILESCCC(CCN)Sc1ccoc1C
InChIInChI=1S/C10H17NOS/c1-3-9(4-6-11)13-10-5-7-12-8(10)2/h5,7,9H,3-4,6,11H2,1-2H3
InChIKeyORWXQQIPNSOVDM-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.81
Rot. Bonds5

About 3-(2-methylfuran-3-yl)sulfanylpentan-1-amine

3-(2-methylfuran-3-yl)sulfanylpentan-1-amine (PubChem CID 107781103) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 3-(2-methylfuran-3-yl)sulfanylpentan-1-amine.

Molecular Properties

Compound Name3-(2-methylfuran-3-yl)sulfanylpentan-1-amine
PubChem CID107781103
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name3-(2-methylfuran-3-yl)sulfanylpentan-1-amine
SMILESCCC(CCN)Sc1ccoc1C
InChIInChI=1S/C10H17NOS/c1-3-9(4-6-11)13-10-5-7-12-8(10)2/h5,7,9H,3-4,6,11H2,1-2H3
InChIKeyORWXQQIPNSOVDM-UHFFFAOYSA-N
XLogP2.81
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylfuran-3-yl)sulfanylpentan-1-amine?
The IUPAC name of 3-(2-methylfuran-3-yl)sulfanylpentan-1-amine (CID 107781103) is 3-(2-methylfuran-3-yl)sulfanylpentan-1-amine.
What is the SMILES notation for 3-(2-methylfuran-3-yl)sulfanylpentan-1-amine?
The canonical SMILES for 3-(2-methylfuran-3-yl)sulfanylpentan-1-amine is CCC(CCN)Sc1ccoc1C.
What is the InChIKey of 3-(2-methylfuran-3-yl)sulfanylpentan-1-amine?
The InChIKey is ORWXQQIPNSOVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-3-9(4-6-11)13-10-5-7-12-8(10)2/h5,7,9H,3-4,6,11H2,1-2H3.
What are the key properties of 3-(2-methylfuran-3-yl)sulfanylpentan-1-amine?
3-(2-methylfuran-3-yl)sulfanylpentan-1-amine has a molecular weight of 199.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylfuran-3-yl)sulfanylpentan-1-amine is sourced from PubChem (CID 107781103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).