N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine

C10H15N5S2 — CID 62578123

IUPACN-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine
SMILESCn1nnnc1SCCNCCc1cccs1
InChIInChI=1S/C10H15N5S2/c1-15-10(12-13-14-15)17-8-6-11-5-4-9-3-2-7-16-9/h2-3,7,11H,4-6,8H2,1H3
InChIKeySKCSIZCGZVTZCG-UHFFFAOYSA-N
MW269.40 g/mol
LogP1.20
Rot. Bonds7

About N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine

N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine (PubChem CID 62578123) has the molecular formula C10H15N5S2 and a molecular weight of 269.40 g/mol. Its IUPAC name is N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine
PubChem CID62578123
Molecular FormulaC10H15N5S2
Molecular Weight269.40 g/mol
Exact Mass269.08
IUPAC NameN-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine
SMILESCn1nnnc1SCCNCCc1cccs1
InChIInChI=1S/C10H15N5S2/c1-15-10(12-13-14-15)17-8-6-11-5-4-9-3-2-7-16-9/h2-3,7,11H,4-6,8H2,1H3
InChIKeySKCSIZCGZVTZCG-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methyltetrazol-5-yl)sulfanyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17331783
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
CID 17331729
N-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine
CID 62578414
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine
CID 62578341
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline
CID 62578977
N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine
CID 60695389
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylethanamine
CID 63775489
N-[(4-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
CID 17291661
N-[(4-chlorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine chloride
CID 53346680
N-[(4-methylsulfanylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 2996892
N-[(4-chlorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
CID 2976228
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-en-1-amine;hydrochloride
CID 2978872

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine (CID 62578123) is N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine is Cn1nnnc1SCCNCCc1cccs1.
What is the InChIKey of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine?
The InChIKey is SKCSIZCGZVTZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S2/c1-15-10(12-13-14-15)17-8-6-11-5-4-9-3-2-7-16-9/h2-3,7,11H,4-6,8H2,1H3.
What are the key properties of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine?
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine has a molecular weight of 269.40 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 62578123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).