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

C8H14N2O2S2 — CID 49458224

IUPACN-(1,3-thiazol-4-ylmethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1cscn1
InChIInChI=1S/C8H14N2O2S2/c1-2-3-4-14(11,12)10-5-8-6-13-7-9-8/h6-7,10H,2-5H2,1H3
InChIKeyVICZUCCVLQFNOF-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.36
Rot. Bonds6

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

N-(1,3-thiazol-4-ylmethyl)butane-1-sulfonamide (PubChem CID 49458224) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)butane-1-sulfonamide
PubChem CID49458224
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC NameN-(1,3-thiazol-4-ylmethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1cscn1
InChIInChI=1S/C8H14N2O2S2/c1-2-3-4-14(11,12)10-5-8-6-13-7-9-8/h6-7,10H,2-5H2,1H3
InChIKeyVICZUCCVLQFNOF-UHFFFAOYSA-N
XLogP1.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)butane-1-sulfonamide?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)butane-1-sulfonamide (CID 49458224) is N-(1,3-thiazol-4-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCc1cscn1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)butane-1-sulfonamide?
The InChIKey is VICZUCCVLQFNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c1-2-3-4-14(11,12)10-5-8-6-13-7-9-8/h6-7,10H,2-5H2,1H3.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)butane-1-sulfonamide?
N-(1,3-thiazol-4-ylmethyl)butane-1-sulfonamide has a molecular weight of 234.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 49458224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).