N-[[1-(thiolan-3-yl)tetrazol-5-yl]methyl]ethanamine

C8H15N5S — CID 103064873

IUPACN-[[1-(thiolan-3-yl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1C1CCSC1
InChIInChI=1S/C8H15N5S/c1-2-9-5-8-10-11-12-13(8)7-3-4-14-6-7/h7,9H,2-6H2,1H3
InChIKeyPWYNWLNAQDEZOH-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.46
Rot. Bonds4

About N-[[1-(thiolan-3-yl)tetrazol-5-yl]methyl]ethanamine

N-[[1-(thiolan-3-yl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 103064873) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is N-[[1-(thiolan-3-yl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(thiolan-3-yl)tetrazol-5-yl]methyl]ethanamine
PubChem CID103064873
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC NameN-[[1-(thiolan-3-yl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1C1CCSC1
InChIInChI=1S/C8H15N5S/c1-2-9-5-8-10-11-12-13(8)7-3-4-14-6-7/h7,9H,2-6H2,1H3
InChIKeyPWYNWLNAQDEZOH-UHFFFAOYSA-N
XLogP0.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiolan-3-yl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(thiolan-3-yl)tetrazol-5-yl]methyl]ethanamine (CID 103064873) is N-[[1-(thiolan-3-yl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(thiolan-3-yl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(thiolan-3-yl)tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1C1CCSC1.
What is the InChIKey of N-[[1-(thiolan-3-yl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is PWYNWLNAQDEZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-2-9-5-8-10-11-12-13(8)7-3-4-14-6-7/h7,9H,2-6H2,1H3.
What are the key properties of N-[[1-(thiolan-3-yl)tetrazol-5-yl]methyl]ethanamine?
N-[[1-(thiolan-3-yl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 213.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiolan-3-yl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 103064873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).