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

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

1-[1-(cyclobutylmethyl)tetrazol-5-yl]-N-methylmethanamine
CID 62735754
N-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62761177
N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63997160
2-methyl-N-[[1-(4-propylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62761526
2-methyl-N-[[1-(1-methylcyclohexyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62763129
N-[[1-(1,1-dioxothian-3-yl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63917892
2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-2-amine
CID 62737630
N-[[1-(cyclobutylmethyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62735756
N-[[1-(cyclopentylmethyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62735579
N-[[1-(2,2-dimethylpropyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62761510
(2S)-2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol
CID 95635544
N-[[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
CID 107420733

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).