2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid

C10H19N5O2S — CID 29070562

IUPAC2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid
SMILESCCN(CC)CCCn1nnnc1SCC(=O)O
InChIInChI=1S/C10H19N5O2S/c1-3-14(4-2)6-5-7-15-10(11-12-13-15)18-8-9(16)17/h3-8H2,1-2H3,(H,16,17)
InChIKeyCXMCDUIMWYLWGN-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.58
Rot. Bonds9

About 2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid

2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid (PubChem CID 29070562) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid
PubChem CID29070562
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid
SMILESCCN(CC)CCCn1nnnc1SCC(=O)O
InChIInChI=1S/C10H19N5O2S/c1-3-14(4-2)6-5-7-15-10(11-12-13-15)18-8-9(16)17/h3-8H2,1-2H3,(H,16,17)
InChIKeyCXMCDUIMWYLWGN-UHFFFAOYSA-N
XLogP0.58
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid
CID 114139243
2-[1-[3-(diethylamino)-3-oxopropyl]tetrazol-5-yl]sulfanylacetic acid
CID 113411581
2-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]sulfanylacetic acid
CID 54951501
[1-[3-(dimethylamino)propyl]tetrazol-5-yl]sulfanylmethyl hydrogen carbonate
CID 70441241
[1-[3-(dimethylamino)propyl]tetrazol-5-yl]sulfanylmethylcarbamic acid
CID 54203893
2-[[4-[2-(diethylamino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 29065460
2-[1-[3-(diethylamino)propyl]-5-ethylimidazol-2-yl]sulfanylacetic acid
CID 81336694
2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]acetic acid
CID 56983415
2-[[4-[5-(diethylamino)pentan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43148549
2-[[4-[5-(diethylamino)pentan-2-yl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43149433
2-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]sulfanylacetaldehyde
CID 173388790
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid (CID 29070562) is 2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid is CCN(CC)CCCn1nnnc1SCC(=O)O.
What is the InChIKey of 2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is CXMCDUIMWYLWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-3-14(4-2)6-5-7-15-10(11-12-13-15)18-8-9(16)17/h3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid?
2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid has a molecular weight of 273.36 g/mol, XLogP of 0.58, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 29070562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).