2-methyl-N-[[1-(thiolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine

C11H21N5S — CID 80586030

IUPAC2-methyl-N-[[1-(thiolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnnn1CC1CCCS1
InChIInChI=1S/C11H21N5S/c1-11(2,3)12-7-10-13-14-15-16(10)8-9-5-4-6-17-9/h9,12H,4-8H2,1-3H3
InChIKeyZPJAGBXRGIJQGX-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.46
Rot. Bonds4

About 2-methyl-N-[[1-(thiolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine

2-methyl-N-[[1-(thiolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 80586030) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-methyl-N-[[1-(thiolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(thiolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID80586030
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name2-methyl-N-[[1-(thiolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnnn1CC1CCCS1
InChIInChI=1S/C11H21N5S/c1-11(2,3)12-7-10-13-14-15-16(10)8-9-5-4-6-17-9/h9,12H,4-8H2,1-3H3
InChIKeyZPJAGBXRGIJQGX-UHFFFAOYSA-N
XLogP1.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(thiolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(thiolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine (CID 80586030) is 2-methyl-N-[[1-(thiolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(thiolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(thiolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine is CC(C)(C)NCc1nnnn1CC1CCCS1.
What is the InChIKey of 2-methyl-N-[[1-(thiolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is ZPJAGBXRGIJQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-11(2,3)12-7-10-13-14-15-16(10)8-9-5-4-6-17-9/h9,12H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(thiolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(thiolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 255.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(thiolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 80586030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).