(3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol

C15H21N3O3S — CID 124741788

IUPAC(3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol
SMILESCC[C@H](CCO)CNc1ncnc2ccc(S(C)(=O)=O)cc12
InChIInChI=1S/C15H21N3O3S/c1-3-11(6-7-19)9-16-15-13-8-12(22(2,20)21)4-5-14(13)17-10-18-15/h4-5,8,10-11,19H,3,6-7,9H2,1-2H3,(H,16,17,18)/t11-/m1/s1
InChIKeyWWXZQSJFNYWZHR-LLVKDONJSA-N
MW323.42 g/mol
LogP1.85
Rot. Bonds7

About (3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol

(3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol (PubChem CID 124741788) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is (3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name(3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol
PubChem CID124741788
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name(3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol
SMILESCC[C@H](CCO)CNc1ncnc2ccc(S(C)(=O)=O)cc12
InChIInChI=1S/C15H21N3O3S/c1-3-11(6-7-19)9-16-15-13-8-12(22(2,20)21)4-5-14(13)17-10-18-15/h4-5,8,10-11,19H,3,6-7,9H2,1-2H3,(H,16,17,18)/t11-/m1/s1
InChIKeyWWXZQSJFNYWZHR-LLVKDONJSA-N
XLogP1.85
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol?
The IUPAC name of (3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol (CID 124741788) is (3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol.
What is the SMILES notation for (3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol?
The canonical SMILES for (3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol is CC[C@H](CCO)CNc1ncnc2ccc(S(C)(=O)=O)cc12.
What is the InChIKey of (3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol?
The InChIKey is WWXZQSJFNYWZHR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-3-11(6-7-19)9-16-15-13-8-12(22(2,20)21)4-5-14(13)17-10-18-15/h4-5,8,10-11,19H,3,6-7,9H2,1-2H3,(H,16,17,18)/t11-/m1/s1.
What are the key properties of (3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol?
(3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol has a molecular weight of 323.42 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol is sourced from PubChem (CID 124741788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).