2-(2-methylfuran-3-yl)sulfanyl-N-prop-2-ynylpropan-1-amine

C11H15NOS — CID 107782610

IUPAC2-(2-methylfuran-3-yl)sulfanyl-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCC(C)Sc1ccoc1C
InChIInChI=1S/C11H15NOS/c1-4-6-12-8-9(2)14-11-5-7-13-10(11)3/h1,5,7,9,12H,6,8H2,2-3H3
InChIKeyHNNVFARQHQZMET-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.29
Rot. Bonds5

About 2-(2-methylfuran-3-yl)sulfanyl-N-prop-2-ynylpropan-1-amine

2-(2-methylfuran-3-yl)sulfanyl-N-prop-2-ynylpropan-1-amine (PubChem CID 107782610) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)sulfanyl-N-prop-2-ynylpropan-1-amine.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)sulfanyl-N-prop-2-ynylpropan-1-amine
PubChem CID107782610
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-(2-methylfuran-3-yl)sulfanyl-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCC(C)Sc1ccoc1C
InChIInChI=1S/C11H15NOS/c1-4-6-12-8-9(2)14-11-5-7-13-10(11)3/h1,5,7,9,12H,6,8H2,2-3H3
InChIKeyHNNVFARQHQZMET-UHFFFAOYSA-N
XLogP2.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)sulfanyl-N-prop-2-ynylpropan-1-amine?
The IUPAC name of 2-(2-methylfuran-3-yl)sulfanyl-N-prop-2-ynylpropan-1-amine (CID 107782610) is 2-(2-methylfuran-3-yl)sulfanyl-N-prop-2-ynylpropan-1-amine.
What is the SMILES notation for 2-(2-methylfuran-3-yl)sulfanyl-N-prop-2-ynylpropan-1-amine?
The canonical SMILES for 2-(2-methylfuran-3-yl)sulfanyl-N-prop-2-ynylpropan-1-amine is C#CCNCC(C)Sc1ccoc1C.
What is the InChIKey of 2-(2-methylfuran-3-yl)sulfanyl-N-prop-2-ynylpropan-1-amine?
The InChIKey is HNNVFARQHQZMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-4-6-12-8-9(2)14-11-5-7-13-10(11)3/h1,5,7,9,12H,6,8H2,2-3H3.
What are the key properties of 2-(2-methylfuran-3-yl)sulfanyl-N-prop-2-ynylpropan-1-amine?
2-(2-methylfuran-3-yl)sulfanyl-N-prop-2-ynylpropan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 2.29, 5 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)sulfanyl-N-prop-2-ynylpropan-1-amine is sourced from PubChem (CID 107782610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).