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

C10H17NOS — CID 107784097

IUPAC2-(2-methylfuran-3-yl)sulfanylpentan-3-amine
SMILESCCC(N)C(C)Sc1ccoc1C
InChIInChI=1S/C10H17NOS/c1-4-9(11)8(3)13-10-5-6-12-7(10)2/h5-6,8-9H,4,11H2,1-3H3
InChIKeyCTYFAFWTJGPTAO-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.81
Rot. Bonds4

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

2-(2-methylfuran-3-yl)sulfanylpentan-3-amine (PubChem CID 107784097) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)sulfanylpentan-3-amine.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)sulfanylpentan-3-amine
PubChem CID107784097
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name2-(2-methylfuran-3-yl)sulfanylpentan-3-amine
SMILESCCC(N)C(C)Sc1ccoc1C
InChIInChI=1S/C10H17NOS/c1-4-9(11)8(3)13-10-5-6-12-7(10)2/h5-6,8-9H,4,11H2,1-3H3
InChIKeyCTYFAFWTJGPTAO-UHFFFAOYSA-N
XLogP2.81
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 2-(2-methylfuran-3-yl)sulfanylpentan-3-amine?
The IUPAC name of 2-(2-methylfuran-3-yl)sulfanylpentan-3-amine (CID 107784097) is 2-(2-methylfuran-3-yl)sulfanylpentan-3-amine.
What is the SMILES notation for 2-(2-methylfuran-3-yl)sulfanylpentan-3-amine?
The canonical SMILES for 2-(2-methylfuran-3-yl)sulfanylpentan-3-amine is CCC(N)C(C)Sc1ccoc1C.
What is the InChIKey of 2-(2-methylfuran-3-yl)sulfanylpentan-3-amine?
The InChIKey is CTYFAFWTJGPTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-4-9(11)8(3)13-10-5-6-12-7(10)2/h5-6,8-9H,4,11H2,1-3H3.
What are the key properties of 2-(2-methylfuran-3-yl)sulfanylpentan-3-amine?
2-(2-methylfuran-3-yl)sulfanylpentan-3-amine has a molecular weight of 199.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)sulfanylpentan-3-amine is sourced from PubChem (CID 107784097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).