2-methyl-N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-1-amine

C11H21N5O2S — CID 55109539

IUPAC2-methyl-N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnnn1C1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H21N5O2S/c1-9(2)6-12-7-10-13-14-15-16(10)11(3)4-5-19(17,18)8-11/h9,12H,4-8H2,1-3H3
InChIKeyZLTCHLDUIHTMMA-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.05
Rot. Bonds5

About 2-methyl-N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-1-amine

2-methyl-N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 55109539) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-methyl-N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-1-amine
PubChem CID55109539
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name2-methyl-N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnnn1C1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H21N5O2S/c1-9(2)6-12-7-10-13-14-15-16(10)11(3)4-5-19(17,18)8-11/h9,12H,4-8H2,1-3H3
InChIKeyZLTCHLDUIHTMMA-UHFFFAOYSA-N
XLogP-0.05
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-1-amine (CID 55109539) is 2-methyl-N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-1-amine is CC(C)CNCc1nnnn1C1(C)CCS(=O)(=O)C1.
What is the InChIKey of 2-methyl-N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is ZLTCHLDUIHTMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-9(2)6-12-7-10-13-14-15-16(10)11(3)4-5-19(17,18)8-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 287.39 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(3-methyl-1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 55109539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).