N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide

C15H23N3O2S3 — CID 57396265

IUPACN-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1
InChIInChI=1S/C15H23N3O2S3/c1-12(2)23(19,20)17-8-5-3-4-7-16-15-18-14(11-22-15)13-6-9-21-10-13/h6,9-12,17H,3-5,7-8H2,1-2H3,(H,16,18)
InChIKeyPANOLYPJHRNFMC-UHFFFAOYSA-N
MW373.57 g/mol
LogP3.78
Rot. Bonds10

About N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide

N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide (PubChem CID 57396265) has the molecular formula C15H23N3O2S3 and a molecular weight of 373.57 g/mol. Its IUPAC name is N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide
PubChem CID57396265
Molecular FormulaC15H23N3O2S3
Molecular Weight373.57 g/mol
Exact Mass373.10
IUPAC NameN-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1
InChIInChI=1S/C15H23N3O2S3/c1-12(2)23(19,20)17-8-5-3-4-7-16-15-18-14(11-22-15)13-6-9-21-10-13/h6,9-12,17H,3-5,7-8H2,1-2H3,(H,16,18)
InChIKeyPANOLYPJHRNFMC-UHFFFAOYSA-N
XLogP3.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide?
The IUPAC name of N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide (CID 57396265) is N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide?
The canonical SMILES for N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1.
What is the InChIKey of N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide?
The InChIKey is PANOLYPJHRNFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S3/c1-12(2)23(19,20)17-8-5-3-4-7-16-15-18-14(11-22-15)13-6-9-21-10-13/h6,9-12,17H,3-5,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide?
N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide has a molecular weight of 373.57 g/mol, XLogP of 3.78, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide is sourced from PubChem (CID 57396265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).