4-cyclopentyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine

C10H16N4O2S — CID 63867314

IUPAC4-cyclopentyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
SMILESCS(=O)(=O)Cc1nc(N)nc(C2CCCC2)n1
InChIInChI=1S/C10H16N4O2S/c1-17(15,16)6-8-12-9(14-10(11)13-8)7-4-2-3-5-7/h7H,2-6H2,1H3,(H2,11,12,13,14)
InChIKeyYABPKNLSQPNIOG-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.66
Rot. Bonds3

About 4-cyclopentyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine

4-cyclopentyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine (PubChem CID 63867314) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-cyclopentyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
PubChem CID63867314
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name4-cyclopentyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
SMILESCS(=O)(=O)Cc1nc(N)nc(C2CCCC2)n1
InChIInChI=1S/C10H16N4O2S/c1-17(15,16)6-8-12-9(14-10(11)13-8)7-4-2-3-5-7/h7H,2-6H2,1H3,(H2,11,12,13,14)
InChIKeyYABPKNLSQPNIOG-UHFFFAOYSA-N
XLogP0.66
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopentyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine (CID 63867314) is 4-cyclopentyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine is CS(=O)(=O)Cc1nc(N)nc(C2CCCC2)n1.
What is the InChIKey of 4-cyclopentyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is YABPKNLSQPNIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-17(15,16)6-8-12-9(14-10(11)13-8)7-4-2-3-5-7/h7H,2-6H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-cyclopentyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
4-cyclopentyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 256.33 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).