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

C10H19N5O2S — CID 55109438

IUPACN-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nnnn1C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19N5O2S/c1-8(2)5-11-6-10-12-13-14-15(10)9-3-4-18(16,17)7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyIIZOHQIXBKHUAK-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.22
Rot. Bonds5

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

N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 55109438) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID55109438
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC NameN-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nnnn1C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19N5O2S/c1-8(2)5-11-6-10-12-13-14-15(10)9-3-4-18(16,17)7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyIIZOHQIXBKHUAK-UHFFFAOYSA-N
XLogP-0.22
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine (CID 55109438) is N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nnnn1C1CCS(=O)(=O)C1.
What is the InChIKey of N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is IIZOHQIXBKHUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-8(2)5-11-6-10-12-13-14-15(10)9-3-4-18(16,17)7-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 273.36 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55109438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).