4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C11H18ClN5O2S — CID 64644222

IUPAC4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCC(CS(C)(=O)=O)Nc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C11H18ClN5O2S/c1-8(7-20(2,18)19)13-10-14-9(12)15-11(16-10)17-5-3-4-6-17/h8H,3-7H2,1-2H3,(H,13,14,15,16)
InChIKeyTVFXLFUQQRTVCM-UHFFFAOYSA-N
MW319.82 g/mol
LogP0.97
Rot. Bonds5

About 4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 64644222) has the molecular formula C11H18ClN5O2S and a molecular weight of 319.82 g/mol. Its IUPAC name is 4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID64644222
Molecular FormulaC11H18ClN5O2S
Molecular Weight319.82 g/mol
Exact Mass319.09
IUPAC Name4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCC(CS(C)(=O)=O)Nc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C11H18ClN5O2S/c1-8(7-20(2,18)19)13-10-14-9(12)15-11(16-10)17-5-3-4-6-17/h8H,3-7H2,1-2H3,(H,13,14,15,16)
InChIKeyTVFXLFUQQRTVCM-UHFFFAOYSA-N
XLogP0.97
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 64644222) is 4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CC(CS(C)(=O)=O)Nc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is TVFXLFUQQRTVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O2S/c1-8(7-20(2,18)19)13-10-14-9(12)15-11(16-10)17-5-3-4-6-17/h8H,3-7H2,1-2H3,(H,13,14,15,16).
What are the key properties of 4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 319.82 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 64644222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).