N-[2-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclohexanamine

C11H21N5S — CID 55092335

IUPACN-[2-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclohexanamine
SMILESCC(CNC1CCCCC1)Sc1nnnn1C
InChIInChI=1S/C11H21N5S/c1-9(17-11-13-14-15-16(11)2)8-12-10-6-4-3-5-7-10/h9-10,12H,3-8H2,1-2H3
InChIKeyYKTMZPSQOWCXIB-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.61
Rot. Bonds5

About N-[2-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclohexanamine

N-[2-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclohexanamine (PubChem CID 55092335) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[2-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclohexanamine
PubChem CID55092335
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC NameN-[2-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclohexanamine
SMILESCC(CNC1CCCCC1)Sc1nnnn1C
InChIInChI=1S/C11H21N5S/c1-9(17-11-13-14-15-16(11)2)8-12-10-6-4-3-5-7-10/h9-10,12H,3-8H2,1-2H3
InChIKeyYKTMZPSQOWCXIB-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclohexanamine?
The IUPAC name of N-[2-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclohexanamine (CID 55092335) is N-[2-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclohexanamine.
What is the SMILES notation for N-[2-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclohexanamine?
The canonical SMILES for N-[2-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclohexanamine is CC(CNC1CCCCC1)Sc1nnnn1C.
What is the InChIKey of N-[2-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclohexanamine?
The InChIKey is YKTMZPSQOWCXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-9(17-11-13-14-15-16(11)2)8-12-10-6-4-3-5-7-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-[2-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclohexanamine?
N-[2-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclohexanamine has a molecular weight of 255.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclohexanamine is sourced from PubChem (CID 55092335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).