N-(1,3-thiazol-2-yl)butane-1-sulfonamide

C7H12N2O2S2 — CID 9117500

IUPACN-(1,3-thiazol-2-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1nccs1
InChIInChI=1S/C7H12N2O2S2/c1-2-3-6-13(10,11)9-7-8-4-5-12-7/h4-5H,2-3,6H2,1H3,(H,8,9)
InChIKeyNTBLWYWAFUIPDD-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.68
Rot. Bonds5

About N-(1,3-thiazol-2-yl)butane-1-sulfonamide

N-(1,3-thiazol-2-yl)butane-1-sulfonamide (PubChem CID 9117500) has the molecular formula C7H12N2O2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)butane-1-sulfonamide
PubChem CID9117500
Molecular FormulaC7H12N2O2S2
Molecular Weight220.32 g/mol
Exact Mass220.03
IUPAC NameN-(1,3-thiazol-2-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1nccs1
InChIInChI=1S/C7H12N2O2S2/c1-2-3-6-13(10,11)9-7-8-4-5-12-7/h4-5H,2-3,6H2,1H3,(H,8,9)
InChIKeyNTBLWYWAFUIPDD-UHFFFAOYSA-N
XLogP1.68
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminothiazole
CID 2155
5-(1,3-Thiazol-2-ylsulfinyl)-1,3-thiazol-2-amine
CID 44461685
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CID 113363
2-Aminothiazole-5-sulfonamide
CID 21957433
2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide
CID 87417112
1-(Diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine
CID 2730277
1,3-Thiazol-2-ylsulfamic acid
CID 231063
N,N-Dimethyl-N'-1,3-thiazol-2-ylthiourea
CID 13878936
2-(Sulfinatoamino)-1,3-thiazole
CID 57139139
1-[(2S)-2-sulfamoylpropyl]-3-(1,3-thiazol-2-yl)urea
CID 97252839
1,1,1-trifluoro-N-(1,3-thiazol-2-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87850754
1-fluoro-N-(1,3-thiazol-2-yl)methanesulfonamide
CID 88366557

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)butane-1-sulfonamide?
The IUPAC name of N-(1,3-thiazol-2-yl)butane-1-sulfonamide (CID 9117500) is N-(1,3-thiazol-2-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)butane-1-sulfonamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)butane-1-sulfonamide?
The InChIKey is NTBLWYWAFUIPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S2/c1-2-3-6-13(10,11)9-7-8-4-5-12-7/h4-5H,2-3,6H2,1H3,(H,8,9).
What are the key properties of N-(1,3-thiazol-2-yl)butane-1-sulfonamide?
N-(1,3-thiazol-2-yl)butane-1-sulfonamide has a molecular weight of 220.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 9117500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).