3-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine

C10H15N5S2 — CID 6485933

IUPAC3-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCn1nnnc1SCCCNCc1cccs1
InChIInChI=1S/C10H15N5S2/c1-15-10(12-13-14-15)17-7-3-5-11-8-9-4-2-6-16-9/h2,4,6,11H,3,5,7-8H2,1H3
InChIKeyJMDVEQSZDLZFJT-UHFFFAOYSA-N
MW269.40 g/mol
LogP1.54
Rot. Bonds7

About 3-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine

3-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 6485933) has the molecular formula C10H15N5S2 and a molecular weight of 269.40 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID6485933
Molecular FormulaC10H15N5S2
Molecular Weight269.40 g/mol
Exact Mass269.08
IUPAC Name3-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCn1nnnc1SCCCNCc1cccs1
InChIInChI=1S/C10H15N5S2/c1-15-10(12-13-14-15)17-7-3-5-11-8-9-4-2-6-16-9/h2,4,6,11H,3,5,7-8H2,1H3
InChIKeyJMDVEQSZDLZFJT-UHFFFAOYSA-N
XLogP1.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine (CID 6485933) is 3-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine is Cn1nnnc1SCCCNCc1cccs1.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is JMDVEQSZDLZFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S2/c1-15-10(12-13-14-15)17-7-3-5-11-8-9-4-2-6-16-9/h2,4,6,11H,3,5,7-8H2,1H3.
What are the key properties of 3-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine?
3-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 269.40 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 6485933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).