(1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate

C12H17N5O4S2 — CID 55624067

IUPAC(1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate
SMILESCCCCn1nnnc1COC(=O)CNS(=O)(=O)c1cccs1
InChIInChI=1S/C12H17N5O4S2/c1-2-3-6-17-10(14-15-16-17)9-21-11(18)8-13-23(19,20)12-5-4-7-22-12/h4-5,7,13H,2-3,6,8-9H2,1H3
InChIKeyVOKUGYDHIQOZPT-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.56
Rot. Bonds9

About (1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate

(1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate (PubChem CID 55624067) has the molecular formula C12H17N5O4S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is (1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name(1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate
PubChem CID55624067
Molecular FormulaC12H17N5O4S2
Molecular Weight359.43 g/mol
Exact Mass359.07
IUPAC Name(1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate
SMILESCCCCn1nnnc1COC(=O)CNS(=O)(=O)c1cccs1
InChIInChI=1S/C12H17N5O4S2/c1-2-3-6-17-10(14-15-16-17)9-21-11(18)8-13-23(19,20)12-5-4-7-22-12/h4-5,7,13H,2-3,6,8-9H2,1H3
InChIKeyVOKUGYDHIQOZPT-UHFFFAOYSA-N
XLogP0.56
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(1-propyltetrazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55401533
(1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate
CID 30764204
(1-butyltetrazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55392997
(1-butyltetrazol-5-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562402
(1-propyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 18204568
N-pentylthiophene-2-sulfonamide
CID 5150701
[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl 2-(thiophen-2-ylsulfonylamino)acetate
CID 55704784
(1-propyltetrazol-5-yl)methyl 2-phenoxyacetate
CID 55397419
(1-butyltetrazol-5-yl)methyl 2-benzylbenzoate
CID 55390145
N-dodecylthiophene-2-sulfonamide
CID 19681497
(1-propyltetrazol-5-yl)methyl 4-(4-methoxyphenoxy)butanoate
CID 55402770
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 55704749

Frequently Asked Questions

What is the IUPAC name of (1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate?
The IUPAC name of (1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate (CID 55624067) is (1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate.
What is the SMILES notation for (1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate?
The canonical SMILES for (1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate is CCCCn1nnnc1COC(=O)CNS(=O)(=O)c1cccs1.
What is the InChIKey of (1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate?
The InChIKey is VOKUGYDHIQOZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4S2/c1-2-3-6-17-10(14-15-16-17)9-21-11(18)8-13-23(19,20)12-5-4-7-22-12/h4-5,7,13H,2-3,6,8-9H2,1H3.
What are the key properties of (1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate?
(1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate has a molecular weight of 359.43 g/mol, XLogP of 0.56, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 55624067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).