(3R)-3-methyl-1-methylsulfanylpent-4-en-2-amine

C7H15NS — CID 89082277

IUPAC(3R)-3-methyl-1-methylsulfanylpent-4-en-2-amine
SMILESC=C[C@@H](C)C(N)CSC
InChIInChI=1S/C7H15NS/c1-4-6(2)7(8)5-9-3/h4,6-7H,1,5,8H2,2-3H3/t6-,7?/m1/s1
InChIKeyYHJOOFZUMGIFPR-ULUSZKPHSA-N
MW145.27 g/mol
LogP1.50
Rot. Bonds4

About (3R)-3-methyl-1-methylsulfanylpent-4-en-2-amine

(3R)-3-methyl-1-methylsulfanylpent-4-en-2-amine (PubChem CID 89082277) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (3R)-3-methyl-1-methylsulfanylpent-4-en-2-amine.

Molecular Properties

Compound Name(3R)-3-methyl-1-methylsulfanylpent-4-en-2-amine
PubChem CID89082277
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(3R)-3-methyl-1-methylsulfanylpent-4-en-2-amine
SMILESC=C[C@@H](C)C(N)CSC
InChIInChI=1S/C7H15NS/c1-4-6(2)7(8)5-9-3/h4,6-7H,1,5,8H2,2-3H3/t6-,7?/m1/s1
InChIKeyYHJOOFZUMGIFPR-ULUSZKPHSA-N
XLogP1.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-methylsulfanylpent-4-en-2-amine?
The IUPAC name of (3R)-3-methyl-1-methylsulfanylpent-4-en-2-amine (CID 89082277) is (3R)-3-methyl-1-methylsulfanylpent-4-en-2-amine.
What is the SMILES notation for (3R)-3-methyl-1-methylsulfanylpent-4-en-2-amine?
The canonical SMILES for (3R)-3-methyl-1-methylsulfanylpent-4-en-2-amine is C=C[C@@H](C)C(N)CSC.
What is the InChIKey of (3R)-3-methyl-1-methylsulfanylpent-4-en-2-amine?
The InChIKey is YHJOOFZUMGIFPR-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H15NS/c1-4-6(2)7(8)5-9-3/h4,6-7H,1,5,8H2,2-3H3/t6-,7?/m1/s1.
What are the key properties of (3R)-3-methyl-1-methylsulfanylpent-4-en-2-amine?
(3R)-3-methyl-1-methylsulfanylpent-4-en-2-amine has a molecular weight of 145.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-methylsulfanylpent-4-en-2-amine is sourced from PubChem (CID 89082277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).