2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-1-(oxolan-3-yl)ethanamine

C13H23N5OS — CID 104755328

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(CSc1nnnn1C1CCCC1)C1CCOC1
InChIInChI=1S/C13H23N5OS/c1-14-12(10-6-7-19-8-10)9-20-13-15-16-17-18(13)11-4-2-3-5-11/h10-12,14H,2-9H2,1H3
InChIKeyPTTNLGWLRAJOJN-UHFFFAOYSA-N
MW297.43 g/mol
LogP1.50
Rot. Bonds6

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-1-(oxolan-3-yl)ethanamine

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104755328) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-1-(oxolan-3-yl)ethanamine
PubChem CID104755328
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(CSc1nnnn1C1CCCC1)C1CCOC1
InChIInChI=1S/C13H23N5OS/c1-14-12(10-6-7-19-8-10)9-20-13-15-16-17-18(13)11-4-2-3-5-11/h10-12,14H,2-9H2,1H3
InChIKeyPTTNLGWLRAJOJN-UHFFFAOYSA-N
XLogP1.50
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-1-(oxolan-3-yl)ethanamine (CID 104755328) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-1-(oxolan-3-yl)ethanamine is CNC(CSc1nnnn1C1CCCC1)C1CCOC1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is PTTNLGWLRAJOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-14-12(10-6-7-19-8-10)9-20-13-15-16-17-18(13)11-4-2-3-5-11/h10-12,14H,2-9H2,1H3.
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-1-(oxolan-3-yl)ethanamine?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 297.43 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104755328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).