(E)-3-methylsulfinylprop-2-en-1-amine

C4H9NOS — CID 89096762

IUPAC(E)-3-methylsulfinylprop-2-en-1-amine
SMILESCS(=O)/C=C/CN
InChIInChI=1S/C4H9NOS/c1-7(6)4-2-3-5/h2,4H,3,5H2,1H3/b4-2+
InChIKeyTXHWIGASQQRPHC-DUXPYHPUSA-N
MW119.19 g/mol
LogP-0.16
Rot. Bonds2

About (E)-3-methylsulfinylprop-2-en-1-amine

(E)-3-methylsulfinylprop-2-en-1-amine (PubChem CID 89096762) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is (E)-3-methylsulfinylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-methylsulfinylprop-2-en-1-amine
PubChem CID89096762
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name(E)-3-methylsulfinylprop-2-en-1-amine
SMILESCS(=O)/C=C/CN
InChIInChI=1S/C4H9NOS/c1-7(6)4-2-3-5/h2,4H,3,5H2,1H3/b4-2+
InChIKeyTXHWIGASQQRPHC-DUXPYHPUSA-N
XLogP-0.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methylsulfinylprop-2-en-1-amine?
The IUPAC name of (E)-3-methylsulfinylprop-2-en-1-amine (CID 89096762) is (E)-3-methylsulfinylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-methylsulfinylprop-2-en-1-amine?
The canonical SMILES for (E)-3-methylsulfinylprop-2-en-1-amine is CS(=O)/C=C/CN.
What is the InChIKey of (E)-3-methylsulfinylprop-2-en-1-amine?
The InChIKey is TXHWIGASQQRPHC-DUXPYHPUSA-N. The full InChI is InChI=1S/C4H9NOS/c1-7(6)4-2-3-5/h2,4H,3,5H2,1H3/b4-2+.
What are the key properties of (E)-3-methylsulfinylprop-2-en-1-amine?
(E)-3-methylsulfinylprop-2-en-1-amine has a molecular weight of 119.19 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylsulfinylprop-2-en-1-amine is sourced from PubChem (CID 89096762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).