5-[2-(propylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide

C12H17N5O2S2 — CID 106082010

IUPAC5-[2-(propylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
SMILESCCCNCCc1ccc(S(=O)(=O)Nc2nccnn2)s1
InChIInChI=1S/C12H17N5O2S2/c1-2-6-13-7-5-10-3-4-11(20-10)21(18,19)17-12-14-8-9-15-16-12/h3-4,8-9,13H,2,5-7H2,1H3,(H,14,16,17)
InChIKeyRKQJIGJRPUDKBD-UHFFFAOYSA-N
MW327.44 g/mol
LogP1.28
Rot. Bonds8

About 5-[2-(propylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide

5-[2-(propylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide (PubChem CID 106082010) has the molecular formula C12H17N5O2S2 and a molecular weight of 327.44 g/mol. Its IUPAC name is 5-[2-(propylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(propylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
PubChem CID106082010
Molecular FormulaC12H17N5O2S2
Molecular Weight327.44 g/mol
Exact Mass327.08
IUPAC Name5-[2-(propylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
SMILESCCCNCCc1ccc(S(=O)(=O)Nc2nccnn2)s1
InChIInChI=1S/C12H17N5O2S2/c1-2-6-13-7-5-10-3-4-11(20-10)21(18,19)17-12-14-8-9-15-16-12/h3-4,8-9,13H,2,5-7H2,1H3,(H,14,16,17)
InChIKeyRKQJIGJRPUDKBD-UHFFFAOYSA-N
XLogP1.28
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-(propylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(propylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide (CID 106082010) is 5-[2-(propylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(propylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(propylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide is CCCNCCc1ccc(S(=O)(=O)Nc2nccnn2)s1.
What is the InChIKey of 5-[2-(propylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is RKQJIGJRPUDKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S2/c1-2-6-13-7-5-10-3-4-11(20-10)21(18,19)17-12-14-8-9-15-16-12/h3-4,8-9,13H,2,5-7H2,1H3,(H,14,16,17).
What are the key properties of 5-[2-(propylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
5-[2-(propylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 327.44 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(propylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106082010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).