4-chloro-N-[3-(cyclopentylsulfinylmethyl)phenyl]-1,3,5-triazin-2-amine

C15H17ClN4OS — CID 123288315

IUPAC4-chloro-N-[3-(cyclopentylsulfinylmethyl)phenyl]-1,3,5-triazin-2-amine
SMILESO=S(Cc1cccc(Nc2ncnc(Cl)n2)c1)C1CCCC1
InChIInChI=1S/C15H17ClN4OS/c16-14-17-10-18-15(20-14)19-12-5-3-4-11(8-12)9-22(21)13-6-1-2-7-13/h3-5,8,10,13H,1-2,6-7,9H2,(H,17,18,19,20)
InChIKeyBEXOYRUJGXNIMZ-UHFFFAOYSA-N
MW336.85 g/mol
LogP3.46
Rot. Bonds5

About 4-chloro-N-[3-(cyclopentylsulfinylmethyl)phenyl]-1,3,5-triazin-2-amine

4-chloro-N-[3-(cyclopentylsulfinylmethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 123288315) has the molecular formula C15H17ClN4OS and a molecular weight of 336.85 g/mol. Its IUPAC name is 4-chloro-N-[3-(cyclopentylsulfinylmethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[3-(cyclopentylsulfinylmethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID123288315
Molecular FormulaC15H17ClN4OS
Molecular Weight336.85 g/mol
Exact Mass336.08
IUPAC Name4-chloro-N-[3-(cyclopentylsulfinylmethyl)phenyl]-1,3,5-triazin-2-amine
SMILESO=S(Cc1cccc(Nc2ncnc(Cl)n2)c1)C1CCCC1
InChIInChI=1S/C15H17ClN4OS/c16-14-17-10-18-15(20-14)19-12-5-3-4-11(8-12)9-22(21)13-6-1-2-7-13/h3-5,8,10,13H,1-2,6-7,9H2,(H,17,18,19,20)
InChIKeyBEXOYRUJGXNIMZ-UHFFFAOYSA-N
XLogP3.46
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.85
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(cyclopentylsulfinylmethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[3-(cyclopentylsulfinylmethyl)phenyl]-1,3,5-triazin-2-amine (CID 123288315) is 4-chloro-N-[3-(cyclopentylsulfinylmethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[3-(cyclopentylsulfinylmethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[3-(cyclopentylsulfinylmethyl)phenyl]-1,3,5-triazin-2-amine is O=S(Cc1cccc(Nc2ncnc(Cl)n2)c1)C1CCCC1.
What is the InChIKey of 4-chloro-N-[3-(cyclopentylsulfinylmethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is BEXOYRUJGXNIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4OS/c16-14-17-10-18-15(20-14)19-12-5-3-4-11(8-12)9-22(21)13-6-1-2-7-13/h3-5,8,10,13H,1-2,6-7,9H2,(H,17,18,19,20).
What are the key properties of 4-chloro-N-[3-(cyclopentylsulfinylmethyl)phenyl]-1,3,5-triazin-2-amine?
4-chloro-N-[3-(cyclopentylsulfinylmethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 336.85 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(cyclopentylsulfinylmethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 123288315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).