2-[1-[1-(dimethylamino)-3-methylbutan-2-yl]tetrazol-5-yl]sulfanylacetic acid

C10H19N5O2S — CID 54958499

IUPAC2-[1-[1-(dimethylamino)-3-methylbutan-2-yl]tetrazol-5-yl]sulfanylacetic acid
SMILESCC(C)C(CN(C)C)n1nnnc1SCC(=O)O
InChIInChI=1S/C10H19N5O2S/c1-7(2)8(5-14(3)4)15-10(11-12-13-15)18-6-9(16)17/h7-8H,5-6H2,1-4H3,(H,16,17)
InChIKeyPKZQUJMOVOJBQW-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.61
Rot. Bonds7

About 2-[1-[1-(dimethylamino)-3-methylbutan-2-yl]tetrazol-5-yl]sulfanylacetic acid

2-[1-[1-(dimethylamino)-3-methylbutan-2-yl]tetrazol-5-yl]sulfanylacetic acid (PubChem CID 54958499) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[1-[1-(dimethylamino)-3-methylbutan-2-yl]tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-[1-(dimethylamino)-3-methylbutan-2-yl]tetrazol-5-yl]sulfanylacetic acid
PubChem CID54958499
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name2-[1-[1-(dimethylamino)-3-methylbutan-2-yl]tetrazol-5-yl]sulfanylacetic acid
SMILESCC(C)C(CN(C)C)n1nnnc1SCC(=O)O
InChIInChI=1S/C10H19N5O2S/c1-7(2)8(5-14(3)4)15-10(11-12-13-15)18-6-9(16)17/h7-8H,5-6H2,1-4H3,(H,16,17)
InChIKeyPKZQUJMOVOJBQW-UHFFFAOYSA-N
XLogP0.61
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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2-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]sulfanylacetic acid
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2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid
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2-[[4-[1-(dimethylamino)propan-2-yl]-5-(hydroxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
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2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]acetic acid
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2-[[4-[2-(dimethylamino)ethyl]-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 29074361
2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid
CID 29070562
2-[[4-amino-5-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 63189144
2-[1-[1-(dimethylamino)propan-2-yl]-6-fluorobenzimidazol-2-yl]sulfanylacetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(dimethylamino)-3-methylbutan-2-yl]tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-[1-(dimethylamino)-3-methylbutan-2-yl]tetrazol-5-yl]sulfanylacetic acid (CID 54958499) is 2-[1-[1-(dimethylamino)-3-methylbutan-2-yl]tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-[1-(dimethylamino)-3-methylbutan-2-yl]tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-[1-(dimethylamino)-3-methylbutan-2-yl]tetrazol-5-yl]sulfanylacetic acid is CC(C)C(CN(C)C)n1nnnc1SCC(=O)O.
What is the InChIKey of 2-[1-[1-(dimethylamino)-3-methylbutan-2-yl]tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is PKZQUJMOVOJBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-7(2)8(5-14(3)4)15-10(11-12-13-15)18-6-9(16)17/h7-8H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-[1-[1-(dimethylamino)-3-methylbutan-2-yl]tetrazol-5-yl]sulfanylacetic acid?
2-[1-[1-(dimethylamino)-3-methylbutan-2-yl]tetrazol-5-yl]sulfanylacetic acid has a molecular weight of 273.36 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(dimethylamino)-3-methylbutan-2-yl]tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 54958499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).