2-[(2-ethylsulfanylcyclopentyl)amino]-1,3-thiazole-5-sulfonamide

C10H17N3O2S3 — CID 133378448

IUPAC2-[(2-ethylsulfanylcyclopentyl)amino]-1,3-thiazole-5-sulfonamide
SMILESCCSC1CCCC1Nc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C10H17N3O2S3/c1-2-16-8-5-3-4-7(8)13-10-12-6-9(17-10)18(11,14)15/h6-8H,2-5H2,1H3,(H,12,13)(H2,11,14,15)
InChIKeyOMPZOAZABLARJM-UHFFFAOYSA-N
MW307.47 g/mol
LogP1.88
Rot. Bonds5

About 2-[(2-ethylsulfanylcyclopentyl)amino]-1,3-thiazole-5-sulfonamide

2-[(2-ethylsulfanylcyclopentyl)amino]-1,3-thiazole-5-sulfonamide (PubChem CID 133378448) has the molecular formula C10H17N3O2S3 and a molecular weight of 307.47 g/mol. Its IUPAC name is 2-[(2-ethylsulfanylcyclopentyl)amino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[(2-ethylsulfanylcyclopentyl)amino]-1,3-thiazole-5-sulfonamide
PubChem CID133378448
Molecular FormulaC10H17N3O2S3
Molecular Weight307.47 g/mol
Exact Mass307.05
IUPAC Name2-[(2-ethylsulfanylcyclopentyl)amino]-1,3-thiazole-5-sulfonamide
SMILESCCSC1CCCC1Nc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C10H17N3O2S3/c1-2-16-8-5-3-4-7(8)13-10-12-6-9(17-10)18(11,14)15/h6-8H,2-5H2,1H3,(H,12,13)(H2,11,14,15)
InChIKeyOMPZOAZABLARJM-UHFFFAOYSA-N
XLogP1.88
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylsulfanylcyclopentyl)amino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[(2-ethylsulfanylcyclopentyl)amino]-1,3-thiazole-5-sulfonamide (CID 133378448) is 2-[(2-ethylsulfanylcyclopentyl)amino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[(2-ethylsulfanylcyclopentyl)amino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[(2-ethylsulfanylcyclopentyl)amino]-1,3-thiazole-5-sulfonamide is CCSC1CCCC1Nc1ncc(S(N)(=O)=O)s1.
What is the InChIKey of 2-[(2-ethylsulfanylcyclopentyl)amino]-1,3-thiazole-5-sulfonamide?
The InChIKey is OMPZOAZABLARJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S3/c1-2-16-8-5-3-4-7(8)13-10-12-6-9(17-10)18(11,14)15/h6-8H,2-5H2,1H3,(H,12,13)(H2,11,14,15).
What are the key properties of 2-[(2-ethylsulfanylcyclopentyl)amino]-1,3-thiazole-5-sulfonamide?
2-[(2-ethylsulfanylcyclopentyl)amino]-1,3-thiazole-5-sulfonamide has a molecular weight of 307.47 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylsulfanylcyclopentyl)amino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133378448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).