4-pentyl-2,3-dihydro-1,4-benzothiazin-6-amine

C13H20N2S — CID 59144111

IUPAC4-pentyl-2,3-dihydro-1,4-benzothiazin-6-amine
SMILESCCCCCN1CCSc2ccc(N)cc21
InChIInChI=1S/C13H20N2S/c1-2-3-4-7-15-8-9-16-13-6-5-11(14)10-12(13)15/h5-6,10H,2-4,7-9,14H2,1H3
InChIKeyVWIIFHQINQFHAU-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.37
Rot. Bonds4

About 4-pentyl-2,3-dihydro-1,4-benzothiazin-6-amine

4-pentyl-2,3-dihydro-1,4-benzothiazin-6-amine (PubChem CID 59144111) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 4-pentyl-2,3-dihydro-1,4-benzothiazin-6-amine.

Molecular Properties

Compound Name4-pentyl-2,3-dihydro-1,4-benzothiazin-6-amine
PubChem CID59144111
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name4-pentyl-2,3-dihydro-1,4-benzothiazin-6-amine
SMILESCCCCCN1CCSc2ccc(N)cc21
InChIInChI=1S/C13H20N2S/c1-2-3-4-7-15-8-9-16-13-6-5-11(14)10-12(13)15/h5-6,10H,2-4,7-9,14H2,1H3
InChIKeyVWIIFHQINQFHAU-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pentyl-2,3-dihydro-1,4-benzothiazin-6-amine?
The IUPAC name of 4-pentyl-2,3-dihydro-1,4-benzothiazin-6-amine (CID 59144111) is 4-pentyl-2,3-dihydro-1,4-benzothiazin-6-amine.
What is the SMILES notation for 4-pentyl-2,3-dihydro-1,4-benzothiazin-6-amine?
The canonical SMILES for 4-pentyl-2,3-dihydro-1,4-benzothiazin-6-amine is CCCCCN1CCSc2ccc(N)cc21.
What is the InChIKey of 4-pentyl-2,3-dihydro-1,4-benzothiazin-6-amine?
The InChIKey is VWIIFHQINQFHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-2-3-4-7-15-8-9-16-13-6-5-11(14)10-12(13)15/h5-6,10H,2-4,7-9,14H2,1H3.
What are the key properties of 4-pentyl-2,3-dihydro-1,4-benzothiazin-6-amine?
4-pentyl-2,3-dihydro-1,4-benzothiazin-6-amine has a molecular weight of 236.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-2,3-dihydro-1,4-benzothiazin-6-amine is sourced from PubChem (CID 59144111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).