1-(pyrimidin-2-ylsulfanylmethyl)cyclohexan-1-amine

C11H17N3S — CID 90348671

IUPAC1-(pyrimidin-2-ylsulfanylmethyl)cyclohexan-1-amine
SMILESNC1(CSc2ncccn2)CCCCC1
InChIInChI=1S/C11H17N3S/c12-11(5-2-1-3-6-11)9-15-10-13-7-4-8-14-10/h4,7-8H,1-3,5-6,9,12H2
InChIKeyLRKCFIVFOQJUFW-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.23
Rot. Bonds3

About 1-(pyrimidin-2-ylsulfanylmethyl)cyclohexan-1-amine

1-(pyrimidin-2-ylsulfanylmethyl)cyclohexan-1-amine (PubChem CID 90348671) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(pyrimidin-2-ylsulfanylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(pyrimidin-2-ylsulfanylmethyl)cyclohexan-1-amine
PubChem CID90348671
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name1-(pyrimidin-2-ylsulfanylmethyl)cyclohexan-1-amine
SMILESNC1(CSc2ncccn2)CCCCC1
InChIInChI=1S/C11H17N3S/c12-11(5-2-1-3-6-11)9-15-10-13-7-4-8-14-10/h4,7-8H,1-3,5-6,9,12H2
InChIKeyLRKCFIVFOQJUFW-UHFFFAOYSA-N
XLogP2.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-2-ylsulfanylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(pyrimidin-2-ylsulfanylmethyl)cyclohexan-1-amine (CID 90348671) is 1-(pyrimidin-2-ylsulfanylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(pyrimidin-2-ylsulfanylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(pyrimidin-2-ylsulfanylmethyl)cyclohexan-1-amine is NC1(CSc2ncccn2)CCCCC1.
What is the InChIKey of 1-(pyrimidin-2-ylsulfanylmethyl)cyclohexan-1-amine?
The InChIKey is LRKCFIVFOQJUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c12-11(5-2-1-3-6-11)9-15-10-13-7-4-8-14-10/h4,7-8H,1-3,5-6,9,12H2.
What are the key properties of 1-(pyrimidin-2-ylsulfanylmethyl)cyclohexan-1-amine?
1-(pyrimidin-2-ylsulfanylmethyl)cyclohexan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-2-ylsulfanylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 90348671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).