2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine

C8H15N5S — CID 64621182

IUPAC2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine
SMILESCn1nnnc1SC1CCCCC1N
InChIInChI=1S/C8H15N5S/c1-13-8(10-11-12-13)14-7-5-3-2-4-6(7)9/h6-7H,2-5,9H2,1H3
InChIKeyJOBJLOLBDCEISZ-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.57
Rot. Bonds2

About 2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine

2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine (PubChem CID 64621182) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine
PubChem CID64621182
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine
SMILESCn1nnnc1SC1CCCCC1N
InChIInChI=1S/C8H15N5S/c1-13-8(10-11-12-13)14-7-5-3-2-4-6(7)9/h6-7H,2-5,9H2,1H3
InChIKeyJOBJLOLBDCEISZ-UHFFFAOYSA-N
XLogP0.57
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine (CID 64621182) is 2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine is Cn1nnnc1SC1CCCCC1N.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine?
The InChIKey is JOBJLOLBDCEISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-13-8(10-11-12-13)14-7-5-3-2-4-6(7)9/h6-7H,2-5,9H2,1H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine?
2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine has a molecular weight of 213.31 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine is sourced from PubChem (CID 64621182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).