[4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine

C14H27N5S — CID 43530201

IUPAC[4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(Sc2nnnn2C)C1
InChIInChI=1S/C14H27N5S/c1-5-14(2,3)11-7-6-10(9-15)12(8-11)20-13-16-17-18-19(13)4/h10-12H,5-9,15H2,1-4H3
InChIKeyDFQLEYBZZLZWOE-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.48
Rot. Bonds5

About [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine

[4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine (PubChem CID 43530201) has the molecular formula C14H27N5S and a molecular weight of 297.47 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine
PubChem CID43530201
Molecular FormulaC14H27N5S
Molecular Weight297.47 g/mol
Exact Mass297.20
IUPAC Name[4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(Sc2nnnn2C)C1
InChIInChI=1S/C14H27N5S/c1-5-14(2,3)11-7-6-10(9-15)12(8-11)20-13-16-17-18-19(13)4/h10-12H,5-9,15H2,1-4H3
InChIKeyDFQLEYBZZLZWOE-UHFFFAOYSA-N
XLogP2.48
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine 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 [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine?
The IUPAC name of [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine (CID 43530201) is [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine.
What is the SMILES notation for [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine?
The canonical SMILES for [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)C(Sc2nnnn2C)C1.
What is the InChIKey of [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine?
The InChIKey is DFQLEYBZZLZWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5S/c1-5-14(2,3)11-7-6-10(9-15)12(8-11)20-13-16-17-18-19(13)4/h10-12H,5-9,15H2,1-4H3.
What are the key properties of [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine?
[4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine has a molecular weight of 297.47 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine is sourced from PubChem (CID 43530201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).