2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid

C10H19N5O2S — CID 114139243

IUPAC2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid
SMILESCC(C)N(C)CCCn1nnnc1SCC(=O)O
InChIInChI=1S/C10H19N5O2S/c1-8(2)14(3)5-4-6-15-10(11-12-13-15)18-7-9(16)17/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyDKSCFJAPHNRURH-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.58
Rot. Bonds8

About 2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid

2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid (PubChem CID 114139243) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid
PubChem CID114139243
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid
SMILESCC(C)N(C)CCCn1nnnc1SCC(=O)O
InChIInChI=1S/C10H19N5O2S/c1-8(2)14(3)5-4-6-15-10(11-12-13-15)18-7-9(16)17/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyDKSCFJAPHNRURH-UHFFFAOYSA-N
XLogP0.58
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
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

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Related Compounds

2-[1-[3-(diethylamino)propyl]tetrazol-5-yl]sulfanylacetic acid
CID 29070562
[1-[3-(dimethylamino)propyl]tetrazol-5-yl]sulfanylmethyl hydrogen carbonate
CID 70441241
2-[4-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]imidazol-2-yl]sulfanylacetic acid
CID 114139519
[1-[3-(dimethylamino)propyl]tetrazol-5-yl]sulfanylmethylcarbamic acid
CID 54203893
2-[1-[3-(diethylamino)-3-oxopropyl]tetrazol-5-yl]sulfanylacetic acid
CID 113411581
2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]acetic acid
CID 56983415
N,N-di(propan-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide
CID 652193
2-[1-[1-(dimethylamino)-3-methylbutan-2-yl]tetrazol-5-yl]sulfanylacetic acid
CID 54958499
2-[1-(2-pyrazol-1-ylethyl)tetrazol-5-yl]sulfanylacetic acid
CID 54951501
2-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]sulfanylacetaldehyde
CID 173388790
2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine
CID 146534466
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid (CID 114139243) is 2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid is CC(C)N(C)CCCn1nnnc1SCC(=O)O.
What is the InChIKey of 2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is DKSCFJAPHNRURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-8(2)14(3)5-4-6-15-10(11-12-13-15)18-7-9(16)17/h8H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid?
2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid has a molecular weight of 273.36 g/mol, XLogP of 0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[methyl(propan-2-yl)amino]propyl]tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 114139243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).