5-methyl-N-(3-methylsulfanylpropyl)thiolan-3-amine

C9H19NS2 — CID 79950806

IUPAC5-methyl-N-(3-methylsulfanylpropyl)thiolan-3-amine
SMILESCSCCCNC1CSC(C)C1
InChIInChI=1S/C9H19NS2/c1-8-6-9(7-12-8)10-4-3-5-11-2/h8-10H,3-7H2,1-2H3
InChIKeyCOZZICQXBJIPNK-UHFFFAOYSA-N
MW205.39 g/mol
LogP2.22
Rot. Bonds5

About 5-methyl-N-(3-methylsulfanylpropyl)thiolan-3-amine

5-methyl-N-(3-methylsulfanylpropyl)thiolan-3-amine (PubChem CID 79950806) has the molecular formula C9H19NS2 and a molecular weight of 205.39 g/mol. Its IUPAC name is 5-methyl-N-(3-methylsulfanylpropyl)thiolan-3-amine.

Molecular Properties

Compound Name5-methyl-N-(3-methylsulfanylpropyl)thiolan-3-amine
PubChem CID79950806
Molecular FormulaC9H19NS2
Molecular Weight205.39 g/mol
Exact Mass205.10
IUPAC Name5-methyl-N-(3-methylsulfanylpropyl)thiolan-3-amine
SMILESCSCCCNC1CSC(C)C1
InChIInChI=1S/C9H19NS2/c1-8-6-9(7-12-8)10-4-3-5-11-2/h8-10H,3-7H2,1-2H3
InChIKeyCOZZICQXBJIPNK-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylsulfanylpropyl)thiolan-3-amine?
The IUPAC name of 5-methyl-N-(3-methylsulfanylpropyl)thiolan-3-amine (CID 79950806) is 5-methyl-N-(3-methylsulfanylpropyl)thiolan-3-amine.
What is the SMILES notation for 5-methyl-N-(3-methylsulfanylpropyl)thiolan-3-amine?
The canonical SMILES for 5-methyl-N-(3-methylsulfanylpropyl)thiolan-3-amine is CSCCCNC1CSC(C)C1.
What is the InChIKey of 5-methyl-N-(3-methylsulfanylpropyl)thiolan-3-amine?
The InChIKey is COZZICQXBJIPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS2/c1-8-6-9(7-12-8)10-4-3-5-11-2/h8-10H,3-7H2,1-2H3.
What are the key properties of 5-methyl-N-(3-methylsulfanylpropyl)thiolan-3-amine?
5-methyl-N-(3-methylsulfanylpropyl)thiolan-3-amine has a molecular weight of 205.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylsulfanylpropyl)thiolan-3-amine is sourced from PubChem (CID 79950806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).