N-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide

C8H14N4O2S2 — CID 63823781

IUPACN-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide
SMILESO=S(=O)(NCc1cscn1)N1CCNCC1
InChIInChI=1S/C8H14N4O2S2/c13-16(14,12-3-1-9-2-4-12)11-5-8-6-15-7-10-8/h6-7,9,11H,1-5H2
InChIKeyUQLAZAWCFIOJLP-UHFFFAOYSA-N
MW262.36 g/mol
LogP-0.62
Rot. Bonds4

About N-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide

N-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide (PubChem CID 63823781) has the molecular formula C8H14N4O2S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide
PubChem CID63823781
Molecular FormulaC8H14N4O2S2
Molecular Weight262.36 g/mol
Exact Mass262.06
IUPAC NameN-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide
SMILESO=S(=O)(NCc1cscn1)N1CCNCC1
InChIInChI=1S/C8H14N4O2S2/c13-16(14,12-3-1-9-2-4-12)11-5-8-6-15-7-10-8/h6-7,9,11H,1-5H2
InChIKeyUQLAZAWCFIOJLP-UHFFFAOYSA-N
XLogP-0.62
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide (CID 63823781) is N-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide is O=S(=O)(NCc1cscn1)N1CCNCC1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide?
The InChIKey is UQLAZAWCFIOJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S2/c13-16(14,12-3-1-9-2-4-12)11-5-8-6-15-7-10-8/h6-7,9,11H,1-5H2.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide?
N-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide has a molecular weight of 262.36 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 63823781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).