(1-butyltetrazol-5-yl)methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate

C12H19N7O4S — CID 55701272

IUPAC(1-butyltetrazol-5-yl)methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
SMILESCCCCn1nnnc1COC(=O)CNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C12H19N7O4S/c1-3-4-5-19-11(15-16-17-19)9-23-12(20)7-14-24(21,22)10-6-13-18(2)8-10/h6,8,14H,3-5,7,9H2,1-2H3
InChIKeyRQYLGMCBUGWWOM-UHFFFAOYSA-N
MW357.40 g/mol
LogP-0.77
Rot. Bonds9

About (1-butyltetrazol-5-yl)methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate

(1-butyltetrazol-5-yl)methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate (PubChem CID 55701272) has the molecular formula C12H19N7O4S and a molecular weight of 357.40 g/mol. Its IUPAC name is (1-butyltetrazol-5-yl)methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate.

Molecular Properties

Compound Name(1-butyltetrazol-5-yl)methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
PubChem CID55701272
Molecular FormulaC12H19N7O4S
Molecular Weight357.40 g/mol
Exact Mass357.12
IUPAC Name(1-butyltetrazol-5-yl)methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
SMILESCCCCn1nnnc1COC(=O)CNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C12H19N7O4S/c1-3-4-5-19-11(15-16-17-19)9-23-12(20)7-14-24(21,22)10-6-13-18(2)8-10/h6,8,14H,3-5,7,9H2,1-2H3
InChIKeyRQYLGMCBUGWWOM-UHFFFAOYSA-N
XLogP-0.77
TPSA133.89 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

(1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate
CID 55624067
(1-propyltetrazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55401533
(1-propyltetrazol-5-yl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55399245
(1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate
CID 30764204
(1-butyltetrazol-5-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7703282
(2-oxo-2-piperidin-1-ylethyl) 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
CID 55701470
(1-butyltetrazol-5-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55390402
(1-butyltetrazol-5-yl)methyl 1,5-dimethylpyrazole-4-carboxylate
CID 55563378
(1-propyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 18204568
1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114616511
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
CID 55701304
N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide
CID 115638532

Frequently Asked Questions

What is the IUPAC name of (1-butyltetrazol-5-yl)methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate?
The IUPAC name of (1-butyltetrazol-5-yl)methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate (CID 55701272) is (1-butyltetrazol-5-yl)methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate.
What is the SMILES notation for (1-butyltetrazol-5-yl)methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate?
The canonical SMILES for (1-butyltetrazol-5-yl)methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate is CCCCn1nnnc1COC(=O)CNS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of (1-butyltetrazol-5-yl)methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate?
The InChIKey is RQYLGMCBUGWWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O4S/c1-3-4-5-19-11(15-16-17-19)9-23-12(20)7-14-24(21,22)10-6-13-18(2)8-10/h6,8,14H,3-5,7,9H2,1-2H3.
What are the key properties of (1-butyltetrazol-5-yl)methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate?
(1-butyltetrazol-5-yl)methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate has a molecular weight of 357.40 g/mol, XLogP of -0.77, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyltetrazol-5-yl)methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate is sourced from PubChem (CID 55701272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).