2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine

C11H21N5S — CID 82923934

IUPAC2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine
SMILESCNCCn1nnnc1SC1CCCCCC1
InChIInChI=1S/C11H21N5S/c1-12-8-9-16-11(13-14-15-16)17-10-6-4-2-3-5-7-10/h10,12H,2-9H2,1H3
InChIKeyHJOMUSRRUSBPRX-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.71
Rot. Bonds5

About 2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine

2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine (PubChem CID 82923934) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine
PubChem CID82923934
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine
SMILESCNCCn1nnnc1SC1CCCCCC1
InChIInChI=1S/C11H21N5S/c1-12-8-9-16-11(13-14-15-16)17-10-6-4-2-3-5-7-10/h10,12H,2-9H2,1H3
InChIKeyHJOMUSRRUSBPRX-UHFFFAOYSA-N
XLogP1.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine?
The IUPAC name of 2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine (CID 82923934) is 2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine is CNCCn1nnnc1SC1CCCCCC1.
What is the InChIKey of 2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine?
The InChIKey is HJOMUSRRUSBPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-12-8-9-16-11(13-14-15-16)17-10-6-4-2-3-5-7-10/h10,12H,2-9H2,1H3.
What are the key properties of 2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine?
2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine has a molecular weight of 255.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine is sourced from PubChem (CID 82923934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).