(3-pentyl-1,3-thiazolidin-4-yl)methanamine

C9H20N2S — CID 68605554

IUPAC(3-pentyl-1,3-thiazolidin-4-yl)methanamine
SMILESCCCCCN1CSCC1CN
InChIInChI=1S/C9H20N2S/c1-2-3-4-5-11-8-12-7-9(11)6-10/h9H,2-8,10H2,1H3
InChIKeySONZLUBYSURWLF-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.51
Rot. Bonds5

About (3-pentyl-1,3-thiazolidin-4-yl)methanamine

(3-pentyl-1,3-thiazolidin-4-yl)methanamine (PubChem CID 68605554) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is (3-pentyl-1,3-thiazolidin-4-yl)methanamine.

Molecular Properties

Compound Name(3-pentyl-1,3-thiazolidin-4-yl)methanamine
PubChem CID68605554
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name(3-pentyl-1,3-thiazolidin-4-yl)methanamine
SMILESCCCCCN1CSCC1CN
InChIInChI=1S/C9H20N2S/c1-2-3-4-5-11-8-12-7-9(11)6-10/h9H,2-8,10H2,1H3
InChIKeySONZLUBYSURWLF-UHFFFAOYSA-N
XLogP1.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.51
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 (3-pentyl-1,3-thiazolidin-4-yl)methanamine?
The IUPAC name of (3-pentyl-1,3-thiazolidin-4-yl)methanamine (CID 68605554) is (3-pentyl-1,3-thiazolidin-4-yl)methanamine.
What is the SMILES notation for (3-pentyl-1,3-thiazolidin-4-yl)methanamine?
The canonical SMILES for (3-pentyl-1,3-thiazolidin-4-yl)methanamine is CCCCCN1CSCC1CN.
What is the InChIKey of (3-pentyl-1,3-thiazolidin-4-yl)methanamine?
The InChIKey is SONZLUBYSURWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-2-3-4-5-11-8-12-7-9(11)6-10/h9H,2-8,10H2,1H3.
What are the key properties of (3-pentyl-1,3-thiazolidin-4-yl)methanamine?
(3-pentyl-1,3-thiazolidin-4-yl)methanamine has a molecular weight of 188.34 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pentyl-1,3-thiazolidin-4-yl)methanamine is sourced from PubChem (CID 68605554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).