N-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine

C15H21N5S — CID 63804432

IUPACN-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccccc1Sc1nnnn1C1CC1
InChIInChI=1S/C15H21N5S/c1-15(2,3)16-10-11-6-4-5-7-13(11)21-14-17-18-19-20(14)12-8-9-12/h4-7,12,16H,8-10H2,1-3H3
InChIKeyIIBWEASQTWYZGE-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.05
Rot. Bonds5

About N-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine

N-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63804432) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
PubChem CID63804432
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC NameN-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccccc1Sc1nnnn1C1CC1
InChIInChI=1S/C15H21N5S/c1-15(2,3)16-10-11-6-4-5-7-13(11)21-14-17-18-19-20(14)12-8-9-12/h4-7,12,16H,8-10H2,1-3H3
InChIKeyIIBWEASQTWYZGE-UHFFFAOYSA-N
XLogP3.05
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine (CID 63804432) is N-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccccc1Sc1nnnn1C1CC1.
What is the InChIKey of N-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is IIBWEASQTWYZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-15(2,3)16-10-11-6-4-5-7-13(11)21-14-17-18-19-20(14)12-8-9-12/h4-7,12,16H,8-10H2,1-3H3.
What are the key properties of N-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 303.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63804432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).