(3S)-2-(dimethyl-λ3-iodanyl)-5-methylsulfanylpent-1-en-3-amine

C8H18INS — CID 89066413

IUPAC(3S)-2-(dimethyl-λ3-iodanyl)-5-methylsulfanylpent-1-en-3-amine
SMILESC=C([C@@H](N)CCSC)I(C)C
InChIInChI=1S/C8H18INS/c1-7(9(2)3)8(10)5-6-11-4/h8H,1,5-6,10H2,2-4H3/t8-/m0/s1
InChIKeyYEAIHPGAVMJOGH-QMMMGPOBSA-N
MW287.21 g/mol
LogP2.35
Rot. Bonds5

About (3S)-2-(dimethyl-λ3-iodanyl)-5-methylsulfanylpent-1-en-3-amine

(3S)-2-(dimethyl-λ3-iodanyl)-5-methylsulfanylpent-1-en-3-amine (PubChem CID 89066413) has the molecular formula C8H18INS and a molecular weight of 287.21 g/mol. Its IUPAC name is (3S)-2-(dimethyl-λ3-iodanyl)-5-methylsulfanylpent-1-en-3-amine.

Molecular Properties

Compound Name(3S)-2-(dimethyl-λ3-iodanyl)-5-methylsulfanylpent-1-en-3-amine
PubChem CID89066413
Molecular FormulaC8H18INS
Molecular Weight287.21 g/mol
Exact Mass287.02
IUPAC Name(3S)-2-(dimethyl-λ3-iodanyl)-5-methylsulfanylpent-1-en-3-amine
SMILESC=C([C@@H](N)CCSC)I(C)C
InChIInChI=1S/C8H18INS/c1-7(9(2)3)8(10)5-6-11-4/h8H,1,5-6,10H2,2-4H3/t8-/m0/s1
InChIKeyYEAIHPGAVMJOGH-QMMMGPOBSA-N
XLogP2.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-(dimethyl-λ3-iodanyl)-5-methylsulfanylpent-1-en-3-amine?
The IUPAC name of (3S)-2-(dimethyl-λ3-iodanyl)-5-methylsulfanylpent-1-en-3-amine (CID 89066413) is (3S)-2-(dimethyl-λ3-iodanyl)-5-methylsulfanylpent-1-en-3-amine.
What is the SMILES notation for (3S)-2-(dimethyl-λ3-iodanyl)-5-methylsulfanylpent-1-en-3-amine?
The canonical SMILES for (3S)-2-(dimethyl-λ3-iodanyl)-5-methylsulfanylpent-1-en-3-amine is C=C([C@@H](N)CCSC)I(C)C.
What is the InChIKey of (3S)-2-(dimethyl-λ3-iodanyl)-5-methylsulfanylpent-1-en-3-amine?
The InChIKey is YEAIHPGAVMJOGH-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18INS/c1-7(9(2)3)8(10)5-6-11-4/h8H,1,5-6,10H2,2-4H3/t8-/m0/s1.
What are the key properties of (3S)-2-(dimethyl-λ3-iodanyl)-5-methylsulfanylpent-1-en-3-amine?
(3S)-2-(dimethyl-λ3-iodanyl)-5-methylsulfanylpent-1-en-3-amine has a molecular weight of 287.21 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(dimethyl-λ3-iodanyl)-5-methylsulfanylpent-1-en-3-amine is sourced from PubChem (CID 89066413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).