(3S)-N-methyl-5-methylsulfanylpent-1-en-3-amine

C7H15NS — CID 89177349

IUPAC(3S)-N-methyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=C[C@H](CCSC)NC
InChIInChI=1S/C7H15NS/c1-4-7(8-2)5-6-9-3/h4,7-8H,1,5-6H2,2-3H3/t7-/m1/s1
InChIKeyDGPOTDWGUPULNJ-SSDOTTSWSA-N
MW145.27 g/mol
LogP1.51
Rot. Bonds5

About (3S)-N-methyl-5-methylsulfanylpent-1-en-3-amine

(3S)-N-methyl-5-methylsulfanylpent-1-en-3-amine (PubChem CID 89177349) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (3S)-N-methyl-5-methylsulfanylpent-1-en-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-5-methylsulfanylpent-1-en-3-amine
PubChem CID89177349
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(3S)-N-methyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=C[C@H](CCSC)NC
InChIInChI=1S/C7H15NS/c1-4-7(8-2)5-6-9-3/h4,7-8H,1,5-6H2,2-3H3/t7-/m1/s1
InChIKeyDGPOTDWGUPULNJ-SSDOTTSWSA-N
XLogP1.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.51
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 (3S)-N-methyl-5-methylsulfanylpent-1-en-3-amine?
The IUPAC name of (3S)-N-methyl-5-methylsulfanylpent-1-en-3-amine (CID 89177349) is (3S)-N-methyl-5-methylsulfanylpent-1-en-3-amine.
What is the SMILES notation for (3S)-N-methyl-5-methylsulfanylpent-1-en-3-amine?
The canonical SMILES for (3S)-N-methyl-5-methylsulfanylpent-1-en-3-amine is C=C[C@H](CCSC)NC.
What is the InChIKey of (3S)-N-methyl-5-methylsulfanylpent-1-en-3-amine?
The InChIKey is DGPOTDWGUPULNJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NS/c1-4-7(8-2)5-6-9-3/h4,7-8H,1,5-6H2,2-3H3/t7-/m1/s1.
What are the key properties of (3S)-N-methyl-5-methylsulfanylpent-1-en-3-amine?
(3S)-N-methyl-5-methylsulfanylpent-1-en-3-amine has a molecular weight of 145.27 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-5-methylsulfanylpent-1-en-3-amine is sourced from PubChem (CID 89177349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).